data_1eii_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 1eii _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 ' 3' ' ' LYS . . . . . 0.507 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.514 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CD ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.524 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' CG1' HG11 ' A' ' 87' ' ' VAL . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.524 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.475 HG11 ' CG1' ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.528 HD11 ' CE3' ' A' ' 9' ' ' TRP . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.496 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 107' ' ' TRP . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.514 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 134' ' ' LYS . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt . . . . . 0 CA--C 1.507 -0.673 0 N-CA-C 113.404 0.89 . . . . 10.0 113.404 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.567 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.428 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.494 ' N ' HE22 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CE2' HD13 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.432 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' ASN . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.443 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.47 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.2 p-80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.529 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.608 HE22 ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.608 ' NH1' HE22 ' A' ' 98' ' ' GLN . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.445 ' NE2' ' CE2' ' A' ' 131' ' ' PHE . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.423 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.542 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.497 HD13 ' CE2' ' A' ' 20' ' ' TYR . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.494 HE22 ' N ' ' A' ' 14' ' ' ASN . 6.4 tp-100 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.529 ' CE ' ' CG2' ' A' ' 8' ' ' THR . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.504 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.572 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG13 ' CD1' ' A' ' 58' ' ' PHE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 13.9 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 HG12 ' HB ' ' A' ' 52' ' ' THR 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.422 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.495 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.51 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.403 ' ND2' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.403 ' HG1' ' ND2' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.4 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' A' ' 129' ' ' GLN . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.428 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.421 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.536 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 8.4 t30 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 51' ' ' LYS 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.413 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.436 ' C ' ' CG ' ' A' ' 84' ' ' LYS . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.436 ' CG ' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.407 ' HG2' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 133' ' ' LYS . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.504 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 120' ' ' LEU . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 118' ' ' LEU . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 14' ' ' ASN . 6.5 tp-100 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CZ ' ' CG ' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 117.309 2.337 . . . . 10.0 117.309 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.424 ' CB ' ' HG2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.504 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' GLU . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' A' ' 120' ' ' LEU . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 24' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 39' ' ' GLN . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 40' ' ' THR . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' HG2' ' CB ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CD1' HD12 ' A' ' 78' ' ' LEU . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CD2' HG22 ' A' ' 85' ' ' THR . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 61' ' ' TYR . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.402 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' PHE . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.408 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 65' ' ' PHE . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HG3' ' CG2' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 p30 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 90' ' ' GLU . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.418 ' N ' HD21 ' A' ' 120' ' ' LEU . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.492 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.58 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.467 HG21 ' CA ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.467 ' CA ' HG21 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.476 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.476 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 123.629 1.681 . . . . 10.0 112.379 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 22.4 mm-40 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.566 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 131' ' ' PHE . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 79' ' ' ASP . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 ' CE1' ' A' ' 58' ' ' PHE . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' HG2' ' HB3' ' A' ' 56' ' ' SER . 17.2 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' NZ ' ' OG1' ' A' ' 52' ' ' THR 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.426 ' HB3' ' HG2' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' HG21 ' A' ' 85' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.482 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.472 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.486 HG21 ' CG ' ' A' ' 65' ' ' PHE . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.447 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' CB ' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 90' ' ' GLU . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.522 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.405 ' CD1' ' HG2' ' A' ' 11' ' ' MET . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt . . . . . 0 CA--C 1.509 -0.614 0 N-CA-C 114.857 1.428 . . . . 10.0 114.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.579 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.439 ' CB ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.414 ' HB2' ' CG ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.439 HG23 ' CB ' ' A' ' 17' ' ' PHE . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.516 HD13 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 89' ' ' TRP . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.487 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.487 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 HD22 ' CG2' ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.482 ' CD1' HG11 ' A' ' 67' ' ' VAL . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.42 ' CD1' ' N ' ' A' ' 107' ' ' TRP 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.433 ' CB ' HD12 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.51 ' CH2' ' HB3' ' A' ' 117' ' ' TYR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.51 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 131' ' ' PHE . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 114.583 1.327 . . . . 10.0 114.583 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' HD23 ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.579 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.524 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' HE2' ' A' ' 132' ' ' LYS . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' HD13 ' A' ' 120' ' ' LEU . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.431 ' HG3' ' HB3' ' A' ' 31' ' ' ARG 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.477 ' CB ' HG22 ' A' ' 26' ' ' ILE . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' HD11 ' A' ' 33' ' ' ILE . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.415 HG21 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.747 ' NE2' ' H ' ' A' ' 40' ' ' THR . 2.7 mm100 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.747 ' H ' ' NE2' ' A' ' 39' ' ' GLN . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.472 HD11 ' CZ2' ' A' ' 9' ' ' TRP 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 81' ' ' ARG . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.423 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.545 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.435 ' CA ' HD13 ' A' ' 118' ' ' LEU . 14.5 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 20' ' ' TYR . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 13' ' ' SER . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.524 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 118.809 2.892 . . . . 10.0 118.809 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.512 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.437 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.42 ' HG ' HG13 ' A' ' 26' ' ' ILE 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CG1' ' HE3' ' A' ' 41' ' ' LYS 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG21 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 57' ' ' THR . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' ASP . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.45 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.528 HG21 ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.45 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.444 ' CA ' HD11 ' A' ' 118' ' ' LEU . 2.8 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.493 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.493 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 127' ' ' CYS . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.414 ' N ' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.424 ' HG2' HD21 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.418 ' CB ' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.528 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.563 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.541 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 30' ' ' THR . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 33' ' ' ILE . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.454 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CE ' ' A' ' 41' ' ' LYS 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.515 ' CD2' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.45 ' NE ' ' CA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.515 HG23 ' CD2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.448 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.439 ' CD1' ' N ' ' A' ' 107' ' ' TRP 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.506 HD22 ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 130' ' ' VAL . 11.6 tp-100 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 11.6 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.515 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CD2' HG21 ' A' ' 85' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.4 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.488 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.537 HG21 ' CD2' ' A' ' 65' ' ' PHE . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.488 ' CD1' ' CG1' ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.405 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 97' ' ' VAL . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.496 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.443 HD21 ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 131' ' ' PHE . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.452 ' CD2' ' HG ' ' A' ' 118' ' ' LEU . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG2' HD22 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.513 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.441 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 117.169 2.285 . . . . 10.0 117.169 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.518 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 33' ' ' ILE . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.508 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 85' ' ' THR . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.496 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 98' ' ' GLN . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 65' ' ' PHE . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 3 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.457 ' CB ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.462 ' HG2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.477 ' HB3' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.476 ' CA ' HD12 ' A' ' 118' ' ' LEU . 3.1 tt0 -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.469 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD12 ' CA ' ' A' ' 109' ' ' GLN . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.465 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.1 OUTLIER -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.47 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.495 -1.147 0 N-CA-C 114.943 1.46 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.589 ' ND2' HE21 ' A' ' 129' ' ' GLN . 2.0 m120 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CG ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.46 ' HG3' ' CG ' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 27' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CG ' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.543 ' CG2' ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.514 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB3' ' HG3' ' A' ' 11' ' ' MET . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' VAL 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 48' ' ' ASP . 1.1 p30 -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CG ' HG22 ' A' ' 33' ' ' ILE . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.432 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.522 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.495 HD22 ' CE1' ' A' ' 131' ' ' PHE . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.589 HE21 ' ND2' ' A' ' 14' ' ' ASN . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.495 ' CE1' HD22 ' A' ' 118' ' ' LEU 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.468 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.525 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.468 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 119.24 -0.41 . . . . 10.0 111.812 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.423 ' ND2' ' CB ' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' ' OH ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' OH ' ' ND2' ' A' ' 14' ' ' ASN . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.46 ' CG1' HG22 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.46 HG22 ' CG1' ' A' ' 26' ' ' ILE . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HB ' HG22 ' A' ' 8' ' ' THR . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 55' ' ' ASN . 3.7 m-80 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' CB ' ' HG2' ' A' ' 98' ' ' GLN . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.475 ' CD1' HG13 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.401 ' C ' ' CG2' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.425 ' HG2' ' CB ' ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.491 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.434 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.523 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.434 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.423 ' N ' ' HD3' ' A' ' 51' ' ' LYS 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' PHE 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 5 4 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.476 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.53 ' NE2' ' CD2' ' A' ' 131' ' ' PHE . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 107' ' ' TRP . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.449 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.53 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 94' ' ' LEU . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t30 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' MET . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.428 HG12 ' HB ' ' A' ' 52' ' ' THR 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.463 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.428 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.415 HD21 HD13 ' A' ' 26' ' ' ILE . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.469 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 5' ' ' GLN . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 99' ' ' LYS 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CD ' ' N ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.474 ' CD1' ' N ' ' A' ' 107' ' ' TRP 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.53 ' HG2' ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.455 ' CH2' ' HB2' ' A' ' 117' ' ' TYR 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.455 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.53 ' CD1' ' HG2' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 2.3 mmtm . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 116.628 2.085 . . . . 10.0 116.628 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.51 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.51 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.442 ' CB ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.417 HD12 ' HG2' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.411 ' N ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.481 ' CB ' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HA ' ' HB3' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB3' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 39' ' ' GLN . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CD1' HD13 ' A' ' 78' ' ' LEU . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.46 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 61' ' ' TYR . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.5 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 t30 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.466 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.41 HG21 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.446 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 10.9 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 120' ' ' LEU . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 118' ' ' LEU . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.477 ' CD ' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.583 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CG ' ' C ' ' A' ' 8' ' ' THR 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' CG2' ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.472 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 105' ' ' ARG . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 4 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 30' ' ' THR . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 26' ' ' ILE . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' CB ' ' HB2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.574 ' CD1' ' CE1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.422 ' CG2' ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 52' ' ' THR 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' ND2' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.44 HG22 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.44 ' CZ ' HG22 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 3 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.469 ' CB ' HD12 ' A' ' 118' ' ' LEU 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.454 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.515 HD23 ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 107' ' ' TRP . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 127' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.445 ' HB3' ' CE1' ' A' ' 131' ' ' PHE . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 117.397 -1.287 . . . . 10.0 112.348 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.631 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.558 ' HG2' ' CD1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 127' ' ' CYS . 2.0 m-20 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.418 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 ' HB ' ' HG ' ' A' ' 24' ' ' LEU . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.7 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' A' ' 42' ' ' ILE 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 HG13 ' HE3' ' A' ' 41' ' ' LYS 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.45 ' HB3' ' CB ' ' A' ' 45' ' ' GLN 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.52 HG21 ' CE1' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 109' ' ' GLN 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.421 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.421 ' CZ3' ' HB2' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.469 ' CG ' ' CD1' ' A' ' 118' ' ' LEU . 62.0 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.465 ' CH2' ' CB ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.465 ' CB ' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.469 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.432 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.463 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' SER . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.451 ' CG ' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HD2' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 117.596 2.443 . . . . 10.0 117.596 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.518 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CG1' ' CG2' ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.466 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' HB ' ' A' ' 52' ' ' THR 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' A' ' 6' ' ' ASN . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.427 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' HA ' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.513 HG22 ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.458 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HA ' ' CA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 t30 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.425 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' CD ' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.509 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 107' ' ' TRP . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.437 ' CD1' ' C ' ' A' ' 106' ' ' GLY 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 3 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' A' ' 117' ' ' TYR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.421 ' CD1' ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 118' ' ' LEU . 89.1 mm-40 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.487 0 N-CA-C 115.677 1.732 . . . . 10.0 115.677 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.9 m-20 -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CE2' ' NE2' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.55 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.409 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HZ2' ' N ' ' A' ' 42' ' ' ILE 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.605 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.527 ' CG2' ' CB ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.482 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.527 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.401 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.404 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.543 ' CH2' ' CB ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' HD11 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.405 ' CD1' ' C ' ' A' ' 110' ' ' TRP . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 131' ' ' PHE . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.192 0 CA-C-O 122.171 0.986 . . . . 10.0 113.115 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.465 ' CD2' HG23 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 3 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 74' ' ' HIS . 5.7 p-80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.418 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.465 HG23 ' CD2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 96' ' ' CYS . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.413 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.481 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 117' ' ' TYR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.482 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.522 HD21 ' CE1' ' A' ' 131' ' ' PHE . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HG ' ' CD ' ' A' ' 129' ' ' GLN . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 129' ' ' GLN . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.423 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HE2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 . . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.537 ' CG ' ' C ' ' A' ' 8' ' ' THR 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.445 ' HE3' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.445 ' HB ' ' HE3' ' A' ' 21' ' ' MET . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CD ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' MET . 21.6 mm100 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG1' ' HE3' ' A' ' 41' ' ' LYS 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.466 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.453 ' CA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.463 ' HB3' ' CD2' ' A' ' 120' ' ' LEU . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.461 ' CA ' HD12 ' A' ' 118' ' ' LEU . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.461 HD12 ' CA ' ' A' ' 109' ' ' GLN . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.54 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 117.802 2.519 . . . . 10.0 117.802 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.594 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' TRP . . . . . 0.594 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.507 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.413 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 4 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.461 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 55' ' ' ASN . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 HG12 ' HB ' ' A' ' 52' ' ' THR 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.422 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CG ' HG23 ' A' ' 85' ' ' THR . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 2.8 t-160 -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 81' ' ' ARG 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.437 HG23 ' CG ' ' A' ' 65' ' ' PHE . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.525 ' CG ' ' N ' ' A' ' 99' ' ' LYS 0.39 10.7 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.79 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.79 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 103' ' ' GLU 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 4 3 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.58 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' TRP . . . . . 0.48 ' CD1' ' N ' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.442 ' CB ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' TRP . . . . . 0.486 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.486 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 129' ' ' GLN . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.483 ' HB3' ' CG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HG2' ' HG3' ' A' ' 12' ' ' GLU 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtm . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 106.787 -1.56 . . . . 10.0 106.787 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m -90.18 44.62 1.21 Allowed 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 120.852 -1.155 . . . . 10.0 111.794 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -141.23 -42.94 0.37 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.514 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' HG2' ' HB ' ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.416 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.503 ' CE2' H181 ' A' ' 135' ' ' RTL . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 79' ' ' ASP . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' C ' ' CD1' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.415 HG23 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' CD ' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.472 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.414 HG23 ' H14' ' A' ' 135' ' ' RTL 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.472 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.524 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' CG1' HG11 ' A' ' 87' ' ' VAL . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.487 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.487 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.425 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.524 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.475 HG11 ' CG1' ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.479 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.479 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.499 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.496 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.528 HD11 ' CE3' ' A' ' 9' ' ' TRP . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.496 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.46 ' CD1' ' HB2' ' A' ' 107' ' ' TRP . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 13' ' ' SER . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.514 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.435 ' CG ' ' N ' ' A' ' 134' ' ' LYS . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.549 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.43 0 N-CA-C 107.235 -1.395 . . . . 10.0 107.235 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p 35.51 -92.07 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 0 O-C-N 128.357 3.535 . . . . 10.0 111.63 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt -158.15 21.09 0.25 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 114.621 -2.831 . . . . 10.0 113.404 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.567 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.457 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.428 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.494 ' N ' HE22 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' CE2' HD13 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.428 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.447 ' CG2' ' H41' ' A' ' 135' ' ' RTL . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.41 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.468 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CD1' ' HA ' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.466 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 55' ' ' ASN . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.443 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.403 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.465 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HB2' ' H31' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.47 ' CD2' HD12 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 74' ' ' HIS . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.412 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.2 p-80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 HD12 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.529 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.516 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.473 HG22 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.608 HE22 ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.608 ' NH1' HE22 ' A' ' 98' ' ' GLN . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.47 ' CB ' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.445 ' NE2' ' CE2' ' A' ' 131' ' ' PHE . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.542 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.423 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.542 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.47 HD12 ' CB ' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.497 HD13 ' CE2' ' A' ' 20' ' ' TYR . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.472 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.494 HE22 ' N ' ' A' ' 14' ' ' ASN . 6.4 tp-100 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.539 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.529 ' CE ' ' CG2' ' A' ' 8' ' ' THR . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.504 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.506 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.83 0.348 . . . . 10.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 4' ' ' ASP . 37.3 m 51.03 73.27 0.3 Allowed 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 117.825 -1.083 . . . . 10.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER 44.19 -77.97 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 128.224 3.452 . . . . 10.0 115.046 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' THR . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.572 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.496 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG13 ' CD1' ' A' ' 58' ' ' PHE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 13.9 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 HG12 ' HB ' ' A' ' 52' ' ' THR 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.422 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.495 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' CB ' ' H22' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.445 ' CG2' ' HB ' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' HB ' ' CG2' ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.452 ' CD2' ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.476 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.51 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.403 ' ND2' ' HG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.403 ' HG1' ' ND2' ' A' ' 92' ' ' ASN . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.44 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.44 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.531 ' CE3' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.433 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.527 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.527 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.428 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' A' ' 129' ' ' GLN . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.428 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.496 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.421 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.531 H201 ' CE3' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttp . . . . . 0 N--CA 1.515 2.807 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -58.45 -73.34 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.132 -1.427 . . . . 10.0 108.936 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -163.51 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.615 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.536 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.505 ' CD2' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.438 HG12 ' CG2' ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.537 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.536 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.505 HG23 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' N ' ' HD3' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.465 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.415 ' ND2' ' O ' ' A' ' 49' ' ' ASN . 8.4 t30 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.426 ' N ' ' HD2' ' A' ' 51' ' ' LYS 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.413 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.537 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 HD21 ' H31' ' A' ' 135' ' ' RTL . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.466 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.436 ' C ' ' CG ' ' A' ' 84' ' ' LYS . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.436 ' CG ' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.45 HG21 ' CE2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.51 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.492 ' CE3' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.407 ' HG2' HD12 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.504 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.435 HD23 ' HG2' ' A' ' 133' ' ' LYS . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.504 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 120' ' ' LEU . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.444 HD21 ' HG ' ' A' ' 118' ' ' LEU . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.415 ' NE2' ' HB3' ' A' ' 14' ' ' ASN . 6.5 tp-100 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CZ ' ' CG ' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.435 ' HG2' HD23 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 N-CA-C 106.602 -1.629 . . . . 10.0 106.602 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -153.89 -53.96 0.1 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.949 1.833 . . . . 10.0 108.292 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.04 175.27 13.61 Favored 'General case' 0 C--N 1.365 1.244 0 CA-C-N 111.517 -2.583 . . . . 10.0 117.309 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.424 ' CB ' ' HG2' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.504 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.519 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.515 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' GLU . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.52 ' CE2' H182 ' A' ' 135' ' ' RTL . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.423 ' N ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 24' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.435 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.427 ' HB3' ' HG2' ' A' ' 39' ' ' GLN . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.459 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' NZ ' ' C14' ' A' ' 135' ' ' RTL . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' N ' ' HD2' ' A' ' 41' ' ' LYS . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' HG2' ' CB ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.459 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.513 ' CD1' HD12 ' A' ' 78' ' ' LEU . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.491 ' CD2' HG22 ' A' ' 85' ' ' THR . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.519 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.519 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 61' ' ' TYR . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.402 ' C ' ' CG ' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.402 ' CG ' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.491 HG22 ' CD2' ' A' ' 65' ' ' PHE . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.408 ' CD2' ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.433 HG22 ' CE2' ' A' ' 65' ' ' PHE . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.406 ' HG3' ' CG2' ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 p30 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.406 ' CG2' ' HG3' ' A' ' 90' ' ' GLU . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.525 ' CE3' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 110' ' ' TRP . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.464 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.418 ' N ' HD21 ' A' ' 120' ' ' LEU . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.515 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.558 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 54.71 -154.37 0.28 Allowed 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 113.472 -1.695 . . . . 10.0 107.473 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.492 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -84.95 -40.69 16.67 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.58 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.55 ' CE2' ' H7 ' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.447 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.429 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.444 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.404 HD11 ' CZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.459 ' HA ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.459 ' CB ' ' HA ' ' A' ' 45' ' ' GLN . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.44 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.44 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HB3' ' C17' ' A' ' 135' ' ' RTL . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.42 ' CE2' HD22 ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.42 HD22 ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CE1' HG21 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.423 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.403 ' HE2' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.518 HG21 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.467 HG21 ' CA ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.467 ' CA ' HG21 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.461 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.461 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.564 ' CD2' ' C20' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.446 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.476 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.476 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.564 ' C20' ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 179.08 5.87 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 106.045 -1.835 . . . . 10.0 106.045 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.447 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -64.91 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 115.291 -2.564 . . . . 10.0 112.379 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 22.4 mm-40 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.566 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.405 ' HG2' ' CD1' ' A' ' 131' ' ' PHE . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' CD2' ' N ' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.472 ' HA ' ' CB ' ' A' ' 79' ' ' ASP . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.475 HG13 ' CE1' ' A' ' 58' ' ' PHE . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 HD21 ' N ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' HG2' ' HB3' ' A' ' 56' ' ' SER . 17.2 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' NZ ' ' OG1' ' A' ' 52' ' ' THR 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.441 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.513 ' CB ' H161 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' CG ' HG21 ' A' ' 85' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.507 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.482 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.507 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.472 ' CB ' ' HA ' ' A' ' 26' ' ' ILE . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.482 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.486 HG21 ' CG ' ' A' ' 65' ' ' PHE . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.447 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' CB ' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 90' ' ' GLU . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG21 ' CB ' ' A' ' 90' ' ' GLU . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.522 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.505 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.46 HD13 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.446 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.405 ' CD1' ' HG2' ' A' ' 11' ' ' MET . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.527 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttm . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 m -122.45 -49.46 2.03 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.094 -1.817 . . . . 10.0 106.094 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt -135.3 31.9 3.15 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 116.974 -1.89 . . . . 10.0 114.857 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.453 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.579 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.56 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.439 ' CB ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.414 ' HB2' ' CG ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HD3' ' C ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.512 HG13 ' CE1' ' A' ' 58' ' ' PHE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.46 ' CB ' ' H32' ' A' ' 135' ' ' RTL . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.439 HG23 ' CB ' ' A' ' 17' ' ' PHE . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.502 ' CD ' ' H14' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.516 HD13 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.473 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' CG2' ' HB3' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.512 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.482 HG11 ' CD1' ' A' ' 89' ' ' TRP . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.487 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.424 HD23 ' H42' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.487 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.484 ' CG1' HG22 ' A' ' 75' ' ' THR . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 HD22 ' CG2' ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.427 ' CG2' HD22 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.482 ' CD1' HG11 ' A' ' 67' ' ' VAL . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.541 ' CD2' H203 ' A' ' 135' ' ' RTL 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.433 ' CB ' HD12 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.51 ' CH2' ' HB3' ' A' ' 117' ' ' TYR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.428 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.51 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.501 HD22 ' CE1' ' A' ' 131' ' ' PHE . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.435 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.434 ' HB2' ' HB3' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.56 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.541 H203 ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.513 2.692 0 CA-C-O 125.853 2.74 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -87.29 108.28 18.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 112.537 -2.12 . . . . 10.0 105.685 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt 38.45 -89.5 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 129.088 3.992 . . . . 10.0 114.583 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.44 ' HG3' HD23 ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.563 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.579 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.524 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG2' ' HE2' ' A' ' 132' ' ' LYS . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.411 ' CB ' ' HB ' ' A' ' 130' ' ' VAL . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CD1' ' CG2' ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' HD13 ' A' ' 120' ' ' LEU . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.431 ' HG3' ' HB3' ' A' ' 31' ' ' ARG 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.477 HG22 ' CB ' ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.479 ' CG2' ' H42' ' A' ' 135' ' ' RTL . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.431 ' HB3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.441 ' HG2' HD11 ' A' ' 33' ' ' ILE . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.441 HD11 ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 ' CG2' ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.415 HG21 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.747 ' NE2' ' H ' ' A' ' 40' ' ' THR . 2.7 mm100 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.747 ' H ' ' NE2' ' A' ' 39' ' ' GLN . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.472 HD11 ' CZ2' ' A' ' 9' ' ' TRP 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.523 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.405 ' HG2' ' CD ' ' A' ' 81' ' ' ARG . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.414 HD22 ' H31' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 HD23 ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.522 ' HB2' ' CZ2' ' A' ' 107' ' ' TRP . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.423 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.418 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.423 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.418 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.417 ' NH2' H191 ' A' ' 135' ' ' RTL . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.545 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.435 ' CA ' HD13 ' A' ' 118' ' ' LEU . 14.5 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.438 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.457 HD13 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.438 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.506 HD13 ' CE1' ' A' ' 20' ' ' TYR . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.497 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.411 ' HB ' ' CB ' ' A' ' 13' ' ' SER . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.524 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.57 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.29 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -107.99 -166.08 1.1 Allowed 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -100.88 -59.43 1.7 Allowed 'General case' 0 N--CA 1.438 -1.048 0 O-C-N 128.557 3.661 . . . . 10.0 118.809 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.578 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' HG2' ' CG2' ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.512 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' CD2' H182 ' A' ' 135' ' ' RTL 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.495 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.455 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.506 HD11 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.477 ' CG2' ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.415 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 ' CG1' ' HE3' ' A' ' 41' ' ' LYS 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG21 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.403 ' CE1' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' HG ' ' N ' ' A' ' 57' ' ' THR . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.416 ' N ' ' HG ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HD11 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.436 ' HB3' ' H22' ' A' ' 135' ' ' RTL . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CD1' HG21 ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.414 ' N ' ' O ' ' A' ' 48' ' ' ASP . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.423 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.45 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' CD1' ' CD2' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.495 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.528 HG21 ' CD1' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.531 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.45 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.444 ' CA ' HD11 ' A' ' 118' ' ' LEU . 2.8 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.493 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.493 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.45 HD13 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 127' ' ' CYS . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.414 ' N ' HG13 ' A' ' 126' ' ' VAL . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.424 ' HG2' HD21 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.512 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.619 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.957 0 CA-C-O 122.353 1.073 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 163.75 35.65 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.803 1.287 . . . . 10.0 108.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.511 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt -65.45 156.39 32.53 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.418 ' CB ' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.528 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.563 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.541 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG22 ' CG2' ' A' ' 30' ' ' THR . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.465 ' CG2' HG22 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HG2' HD13 ' A' ' 33' ' ' ILE . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.422 HD13 ' HG2' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG23 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.454 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.454 HG13 ' CE ' ' A' ' 41' ' ' LYS 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB2' ' CB ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' HB3' ' H31' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.515 ' CD2' HG23 ' A' ' 85' ' ' THR . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.421 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.45 ' NE ' ' CA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.515 HG23 ' CD2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.511 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.448 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.524 ' CZ3' H151 ' A' ' 135' ' ' RTL 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.471 ' HG2' ' CD1' ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.506 HD22 ' CE3' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.407 ' HB3' ' HB3' ' A' ' 129' ' ' GLN . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.422 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 130' ' ' VAL . 11.6 tp-100 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.563 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.527 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.524 H151 ' CZ3' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.0 m -87.58 -39.46 15.08 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 111.682 -2.508 . . . . 10.0 107.209 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -88.55 -70.65 0.63 Allowed 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.625 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.583 ' N ' HD21 ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.416 ' CB ' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 ' O ' ' N ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.478 ' N ' ' O ' ' A' ' 24' ' ' LEU . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.415 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.515 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.439 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 11.6 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.551 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' N ' ' HG2' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' C ' ' CD1' ' A' ' 50' ' ' PHE . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.412 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.515 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.537 ' CD2' HG21 ' A' ' 85' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.4 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.488 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.537 HG21 ' CD2' ' A' ' 65' ' ' PHE . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 65' ' ' PHE . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.488 ' CD1' ' CG1' ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.445 HG21 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.405 ' HB3' ' CH2' ' A' ' 107' ' ' TRP . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.417 HG12 ' N ' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' HG12 ' A' ' 97' ' ' VAL . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.506 ' CD2' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.443 HD21 ' CE3' ' A' ' 9' ' ' TRP . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.513 HD23 ' CE1' ' A' ' 131' ' ' PHE . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.452 ' CD2' ' HG ' ' A' ' 118' ' ' LEU . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.43 ' HG2' HD22 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.513 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.434 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.441 ' HD2' ' HB ' ' A' ' 8' ' ' THR . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.506 H202 ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 122.357 1.075 . . . . 10.0 108.132 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.8 126.81 31.43 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-N 113.997 -1.456 . . . . 10.0 107.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 168.01 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.9 1 O-C-N 129.997 4.56 . . . . 10.0 117.169 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.518 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.626 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.405 ' CG2' H183 ' A' ' 135' ' ' RTL . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.423 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HG2' HD11 ' A' ' 33' ' ' ILE . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.447 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.483 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.439 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.439 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.414 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.462 ' C ' ' CD1' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' C ' ' CD1' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' HB3' ' H32' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.508 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.497 ' CE2' HG23 ' A' ' 85' ' ' THR . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.409 ' N ' HG13 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.496 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.475 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.508 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' CG1' ' HG2' ' A' ' 98' ' ' GLN . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.457 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.497 HG23 ' CE2' ' A' ' 65' ' ' PHE . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG22 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 3 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.457 ' CB ' HG22 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.462 ' HG2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.457 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.479 ' CE2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.476 ' CA ' HD12 ' A' ' 118' ' ' LEU . 3.1 tt0 -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.469 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.469 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD12 ' CA ' ' A' ' 109' ' ' GLN . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.465 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.1 OUTLIER -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.47 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.507 2.417 0 N-CA-C 106.123 -1.806 . . . . 10.0 106.123 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.08 170.91 0.71 Allowed 'General case' 0 C--O 1.2 -1.535 0 O-C-N 125.298 1.624 . . . . 10.0 107.167 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 159.28 0.77 Allowed 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 126.809 2.568 . . . . 10.0 114.943 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.589 ' ND2' HE21 ' A' ' 129' ' ' GLN . 2.0 m120 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.487 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.543 ' CG ' ' CG2' ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' HG3' ' CG ' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.412 HG23 ' N ' ' A' ' 27' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.424 ' HB ' ' HD2' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.46 ' CG ' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.543 ' CG2' ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.514 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.514 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.407 ' HB3' ' HG3' ' A' ' 11' ' ' MET . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.516 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' VAL 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 48' ' ' ASP . 1.1 p30 -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CG ' HG22 ' A' ' 33' ' ' ILE . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.462 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.432 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.432 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.402 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.421 ' HD2' ' HA ' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.421 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.421 ' HA ' ' HD2' ' A' ' 99' ' ' LYS . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.522 ' N ' ' CD1' ' A' ' 107' ' ' TRP 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.416 ' HB2' ' CD1' ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.495 HD22 ' CE1' ' A' ' 131' ' ' PHE . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.477 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.487 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.589 HE21 ' ND2' ' A' ' 14' ' ' ASN . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.495 ' CE1' HD22 ' A' ' 118' ' ' LEU 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.468 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.525 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.468 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.513 H202 ' CE3' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 105.965 -1.865 . . . . 10.0 105.965 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m 79.82 -67.27 0.14 Allowed 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 126.069 2.106 . . . . 10.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.1 173.76 6.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 124.943 1.402 . . . . 10.0 111.812 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.451 ' HB2' ' HG3' ' A' ' 45' ' ' GLN . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.423 ' ND2' ' CB ' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' ' OH ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.417 ' OH ' ' ND2' ' A' ' 14' ' ' ASN . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' N ' HD21 ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.46 ' CG1' HG22 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' CG2' ' H42' ' A' ' 135' ' ' RTL . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.446 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.404 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.441 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 39' ' ' GLN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 ' HB ' HG22 ' A' ' 8' ' ' THR . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.409 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.449 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.451 ' HG3' ' HB2' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.449 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 55' ' ' ASN . 3.7 m-80 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.441 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.451 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.438 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.518 ' CE2' HG21 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.441 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' CB ' ' HG2' ' A' ' 98' ' ' GLN . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.518 HG21 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.475 ' CD1' HG13 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.401 ' C ' ' CG2' ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.401 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.425 ' HG2' ' CB ' ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.515 ' CE3' H152 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.434 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.523 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.434 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.447 HD12 ' CB ' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.423 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.448 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.446 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.536 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 ttt . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 105.373 -2.084 . . . . 10.0 105.373 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -167.49 -178.87 4.15 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 112.916 -1.947 . . . . 10.0 107.854 -179.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -134.78 -40.18 0.78 Allowed 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 128.528 3.642 . . . . 10.0 113.821 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.522 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' HA ' ' CD1' ' A' ' 17' ' ' PHE . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.423 ' N ' ' HD3' ' A' ' 51' ' ' LYS 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.522 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.472 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.475 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 71' ' ' PHE 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 5 4 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.402 ' N ' ' HG3' ' A' ' 70' ' ' GLU . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.425 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.425 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.45 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.429 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.449 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.504 ' CE2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.53 ' NE2' ' CD2' ' A' ' 131' ' ' PHE . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.522 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.476 ' CD1' ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.522 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.476 HD13 ' CB ' ' A' ' 107' ' ' TRP . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.425 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.449 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.53 ' CD2' ' NE2' ' A' ' 109' ' ' GLN . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.556 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.13 -66.75 0.95 Allowed 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.597 1.186 . . . . 10.0 108.47 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.461 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? -135.73 172.19 13.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HG3' HD23 ' A' ' 94' ' ' LEU . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.463 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.613 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.549 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t30 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.565 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.474 ' CD1' HD13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.474 HD13 ' CD1' ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.44 HD11 ' N ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.565 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.418 ' O ' ' N ' ' A' ' 11' ' ' MET . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.404 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.428 HG12 ' HB ' ' A' ' 52' ' ' THR 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.463 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.428 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.403 HG23 ' C10' ' A' ' 135' ' ' RTL . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.429 ' HB2' ' H31' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.474 HD23 ' C17' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.469 ' HB3' ' CD ' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.469 ' CD ' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.461 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 HD23 ' HG3' ' A' ' 5' ' ' GLN . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.4 ' C ' ' CD ' ' A' ' 99' ' ' LYS 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.459 ' CD ' ' N ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.433 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.543 ' CD2' H202 ' A' ' 135' ' ' RTL 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.53 ' HG2' ' CD1' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.455 ' CH2' ' HB2' ' A' ' 117' ' ' TYR 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.455 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.53 ' CD1' ' HG2' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.434 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.449 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.549 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.559 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 N--CA 1.504 2.245 0 N-CA-C 106.924 -1.51 . . . . 10.0 106.924 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.8 m 60.6 86.72 0.1 Allowed 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.308 2.255 . . . . 10.0 109.436 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.523 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 2.3 mmtm -137.27 -90.02 0.25 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 126.463 2.352 . . . . 10.0 116.628 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.51 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.51 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.561 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.415 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' CB ' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.465 ' C ' ' CD1' ' A' ' 20' ' ' TYR . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' ASP . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' CG1' ' HB2' ' A' ' 79' ' ' ASP . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.417 HD12 ' HG2' ' A' ' 32' ' ' LYS . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.411 ' N ' HG11 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.481 ' CB ' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HA ' ' HB3' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.449 ' CG2' ' HB3' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.417 ' HB ' ' NE2' ' A' ' 39' ' ' GLN . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' ' CB ' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CD1' HD13 ' A' ' 78' ' ' LEU . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.449 ' HB3' ' CG2' ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.46 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.52 HD13 ' CD1' ' A' ' 61' ' ' TYR . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.5 ' HB2' ' CG1' ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 t30 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.523 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.466 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.41 HG21 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.549 ' CD2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 10.9 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.513 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 120' ' ' LEU . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.472 ' CD2' ' HG ' ' A' ' 118' ' ' LEU . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.442 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.561 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' CD ' HG22 ' A' ' 8' ' ' THR . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.583 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 126.254 2.93 . . . . 10.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 -55.93 2.26 Favored 'General case' 0 C--O 1.202 -1.412 0 CA-C-N 111.611 -2.54 . . . . 10.0 106.053 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -95.35 163.19 13.36 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 111.72 -2.491 . . . . 10.0 114.458 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.583 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.583 ' CG ' ' C ' ' A' ' 8' ' ' THR 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' CG2' ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.472 ' CD1' HG21 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.472 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.488 ' HB1' ' CZ ' ' A' ' 105' ' ' ARG . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 4 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG13 HG21 ' A' ' 30' ' ' THR . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.432 HG21 HG13 ' A' ' 26' ' ' ILE . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' CB ' ' HB2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.574 ' CD1' ' CE1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.472 HG21 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.444 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.422 ' CG2' ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' HB ' ' A' ' 52' ' ' THR 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' ND2' ' N ' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.574 ' CE1' ' CD1' ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB2' ' H22' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.44 HG22 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD23 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.44 ' CZ ' HG22 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.413 ' HA ' ' HE3' ' A' ' 84' ' ' LYS . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.413 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 3 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.491 ' N ' ' CD ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.516 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.523 ' CG ' H201 ' A' ' 135' ' ' RTL 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.454 ' CG ' HD12 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.403 ' N ' ' O ' ' A' ' 108' ' ' LYS . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.515 HD23 ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.469 HD12 ' CB ' ' A' ' 107' ' ' TRP . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 127' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.445 ' HB3' ' CE1' ' A' ' 131' ' ' PHE . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.445 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.559 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.972 1.844 . . . . 10.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 3' ' ' LYS . 23.6 p -150.99 -53.44 0.14 Allowed 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.932 -1.507 . . . . 10.0 106.932 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER -112.72 -59.19 2.05 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 128.86 3.85 . . . . 10.0 112.348 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.631 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.558 ' HG2' ' CD1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.432 ' ND2' ' HA ' ' A' ' 127' ' ' CYS . 2.0 m-20 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.407 ' CZ ' H193 ' A' ' 135' ' ' RTL . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.418 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.554 ' CD1' ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 ' HB ' ' HG ' ' A' ' 24' ' ' LEU . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.469 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.469 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.7 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' NZ ' ' C15' ' A' ' 135' ' ' RTL 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.47 ' N ' ' CD ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 HG13 ' HE3' ' A' ' 41' ' ' LYS 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.45 ' HB3' ' CB ' ' A' ' 45' ' ' GLN 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.445 ' HB3' H171 ' A' ' 135' ' ' RTL . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.589 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.52 ' CE1' HG21 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.412 HD23 ' H31' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.554 ' CZ ' ' CD1' ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.52 HG21 ' CE1' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.435 ' CD1' ' HB2' ' A' ' 109' ' ' GLN 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.421 ' HB2' ' CZ3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.481 ' CD2' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.469 ' CG ' ' CD1' ' A' ' 118' ' ' LEU . 62.0 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.465 ' CH2' ' CB ' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.465 ' CB ' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.469 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.432 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.463 ' CB ' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.401 ' N ' ' O ' ' A' ' 13' ' ' SER . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.558 ' CD1' ' HG2' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.451 ' CG ' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HD2' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.6 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 ttm . . . . . 0 N--CA 1.506 2.356 0 CA-C-O 123.904 1.811 . . . . 10.0 108.802 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.54 -46.28 2.38 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.797 -1.547 . . . . 10.0 109.274 -179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.509 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -93.04 -77.41 0.45 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 127.286 2.866 . . . . 10.0 117.596 179.847 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.424 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.57 ' CD1' ' N ' ' A' ' 9' ' ' TRP 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.518 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.449 ' CG1' ' CG2' ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.466 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.474 ' CD1' ' HD2' ' A' ' 32' ' ' LYS . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.468 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.409 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.427 HG12 ' HB ' ' A' ' 52' ' ' THR 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.424 ' HA ' ' HB3' ' A' ' 6' ' ' ASN . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.427 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' HA ' ' HB3' ' A' ' 41' ' ' LYS . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.466 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.424 ' HB2' ' C17' ' A' ' 135' ' ' RTL . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.513 HG22 ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.464 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.458 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.464 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.455 ' HA ' ' CA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 t30 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.425 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' CD ' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.42 ' N ' HG22 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.509 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.428 HG22 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.426 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.437 ' C ' ' CD1' ' A' ' 107' ' ' TRP . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.541 ' CD2' H203 ' A' ' 135' ' ' RTL 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.428 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 3 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.524 ' CH2' ' HB2' ' A' ' 117' ' ' TYR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.421 ' CD1' ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.428 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 118' ' ' LEU . 89.1 mm-40 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.525 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.541 H203 ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 123.588 1.661 . . . . 10.0 108.821 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.407 HG21 ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.52 -70.28 0.21 Allowed 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.317 -2.22 . . . . 10.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -113.79 -157.41 0.62 Allowed 'General case' 0 C--O 1.238 0.487 0 O-C-N 125.554 1.784 . . . . 10.0 115.677 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.9 m-20 -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CE2' ' NE2' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.422 ' HB2' ' HB2' ' A' ' 31' ' ' ARG . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.477 ' HB1' ' CD2' ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.477 ' CD2' ' HB1' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.418 ' CD1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' CG2' ' H41' ' A' ' 135' ' ' RTL . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.422 ' HB2' ' HB2' ' A' ' 21' ' ' MET . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.55 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.409 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' CB ' ' HA ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.47 ' CB ' ' HE2' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.605 ' HZ2' ' N ' ' A' ' 42' ' ' ILE 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.605 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' HA ' ' CG2' ' A' ' 67' ' ' VAL . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' HB2' ' NE2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.527 ' CG2' ' CB ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.409 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.482 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.454 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.527 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.401 ' CD2' ' HG2' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.401 ' HG2' ' CD2' ' A' ' 74' ' ' HIS . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.405 HD23 H172 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.404 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.429 HG12 HG12 ' A' ' 67' ' ' VAL . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.557 ' CD2' ' C20' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.417 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.41 ' N ' HD11 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.405 ' CD1' ' C ' ' A' ' 110' ' ' TRP . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.497 ' CD2' ' HB3' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.449 HD22 ' CE1' ' A' ' 131' ' ' PHE . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.417 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.426 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.4 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.413 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.548 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.474 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' HB2' ' CE3' ' A' ' 9' ' ' TRP . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.474 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.557 ' C20' ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.516 2.873 0 N-CA-C 107.059 -1.46 . . . . 10.0 107.059 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -60.31 1.97 Allowed 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 114.006 -1.452 . . . . 10.0 109.069 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 -33.9 12.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 126.411 2.319 . . . . 10.0 113.115 -179.759 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.637 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.537 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.423 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.429 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.516 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 HD13 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.408 ' N ' HG23 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.516 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.465 ' CD2' HG23 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 3 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.456 ' CD2' ' C ' ' A' ' 74' ' ' HIS . 5.7 p-80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.418 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.418 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.465 HG23 ' CD2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 96' ' ' CYS . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.413 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.569 ' CD2' ' C20' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.5 ' HG2' ' CD1' ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.482 ' CH2' ' HB3' ' A' ' 117' ' ' TYR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.482 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.522 HD21 ' CE1' ' A' ' 131' ' ' PHE . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' HG ' ' CD ' ' A' ' 129' ' ' GLN . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.472 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.52 ' N ' ' OE1' ' A' ' 129' ' ' GLN . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.423 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.537 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.482 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.569 ' C20' ' CD2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.801 0.81 . . . . 10.0 109.901 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.27 169.06 10.94 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 113.901 -1.499 . . . . 10.0 109.552 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HE2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -165.79 -37.49 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.537 ' CG ' ' C ' ' A' ' 8' ' ' THR 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.445 ' HE3' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.471 ' CG2' ' H41' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.422 ' CD ' HD21 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.461 ' CD1' ' HG2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' MET . 21.6 mm100 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG1' ' HE3' ' A' ' 41' ' ' LYS 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.466 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.453 ' CA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' CD1' ' CD1' ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.521 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.494 HD11 ' C17' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.422 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' ND2' ' N ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.457 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.422 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.488 ' CE2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.461 ' CA ' HD12 ' A' ' 118' ' ' LEU . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.461 HD12 ' CA ' ' A' ' 109' ' ' GLN . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.54 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.54 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.515 ' C8 ' ' C16' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 123.656 1.693 . . . . 10.0 109.868 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -73.42 0.69 Allowed 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.289 -1.323 . . . . 10.0 109.713 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -156.1 21.09 0.37 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.784 3.177 . . . . 10.0 117.802 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 68.7 mm-40 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.594 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . 0.594 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.507 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.413 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD2' ' CG2' ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.492 ' CE2' H183 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.681 ' CB ' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.437 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.461 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.411 ' O ' ' N ' ' A' ' 55' ' ' ASN . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.514 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.44 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 HG12 ' HB ' ' A' ' 52' ' ' THR 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.422 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.46 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.437 ' CG ' HG23 ' A' ' 85' ' ' THR . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . 0.515 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 2.8 t-160 -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.42 ' OG1' ' N ' ' A' ' 81' ' ' ARG 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.515 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.443 HD11 ' H22' ' A' ' 135' ' ' RTL . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.487 ' CG2' ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.49 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.437 HG23 ' CG ' ' A' ' 65' ' ' PHE . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.525 ' CG ' ' N ' ' A' ' 99' ' ' LYS 0.39 10.7 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.64 ' HA ' ' HA ' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.79 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.79 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' N ' ' HG3' ' A' ' 103' ' ' GLU 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 4 3 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.58 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' TRP . . . . . 0.521 ' CE3' H202 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.442 ' CB ' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' TRP . . . . . 0.486 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.471 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.486 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.483 ' CG ' ' HB3' ' A' ' 129' ' ' GLN . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.483 ' HB3' ' CG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.507 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' HG2' ' HG3' ' A' ' 12' ' ' GLU 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' RTL . . . . . 0.559 ' C17' ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.463 HE22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' OE2' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 35' ' ' VAL . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 24' ' ' LEU . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.528 HG21 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 44' ' ' VAL 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' N ' HG22 ' A' ' 43' ' ' ILE . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.561 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' A' ' 53' ' ' LYS . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 89' ' ' TRP . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.519 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.584 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' HG11 ' A' ' 67' ' ' VAL . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG22 ' HE2' ' A' ' 108' ' ' LYS . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.44 ' HB2' HG22 ' A' ' 87' ' ' VAL . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.628 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.61 ' HE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.608 ' CD ' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 117' ' ' TYR . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.666 ' N ' HD23 ' A' ' 116' ' ' LEU . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD23 ' HG3' ' A' ' 129' ' ' GLN . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.741 HD22 ' SG ' ' A' ' 122' ' ' CYS . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 126' ' ' VAL . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.741 ' SG ' HD22 ' A' ' 120' ' ' LEU . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 121' ' ' THR . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.76 ' HG3' HD23 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.508 HG11 ' OE2' ' A' ' 12' ' ' GLU . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt . . . . . 0 CA--C 1.507 -0.673 0 N-CA-C 113.404 0.89 . . . . 10.0 113.404 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.666 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CE2' ' CD1' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 122' ' ' CYS . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 HG21 HG21 ' A' ' 26' ' ' ILE . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.937 HD22 ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.937 ' N ' HD22 ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 41' ' ' LYS . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' HG22 ' A' ' 43' ' ' ILE . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG2' ' HB3' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 41' ' ' LYS . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD2' HG22 ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.74 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 83' ' ' VAL . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 33.8 p80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.74 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.412 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 90' ' ' GLU . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' HG22 ' A' ' 97' ' ' VAL . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.825 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.55 ' HG3' HD13 ' A' ' 118' ' ' LEU . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.646 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.646 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 120' ' ' LEU . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 47.6 tp60 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 118' ' ' LEU . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.5 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' OE1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.755 ' OG1' HD12 ' A' ' 42' ' ' ILE . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HB3' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 78' ' ' LEU . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.69 ' HG3' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.73 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 44' ' ' VAL 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.428 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' CG2' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.84 HG11 ' HD1' ' A' ' 89' ' ' TRP . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 73' ' ' GLU . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.666 HG12 HG13 ' A' ' 67' ' ' VAL . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.84 ' HD1' HG11 ' A' ' 67' ' ' VAL . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 95' ' ' VAL . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.497 ' H ' HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG23 ' HG3' ' A' ' 90' ' ' GLU 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.537 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.431 HE21 ' HB2' ' A' ' 109' ' ' GLN . 0.4 OUTLIER -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.537 HD11 ' CB ' ' A' ' 107' ' ' TRP . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.657 HD22 ' SG ' ' A' ' 122' ' ' CYS . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.657 ' SG ' HD22 ' A' ' 120' ' ' LEU . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.754 ' OE1' HD22 ' A' ' 94' ' ' LEU . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.843 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 40' ' ' THR . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 24' ' ' LEU 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG12 HG21 ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.7 HG21 HG12 ' A' ' 26' ' ' ILE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.627 HG22 HD23 ' A' ' 37' ' ' LEU . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 12' ' ' GLU . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' H ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.843 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 21.3 t-20 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.479 ' OG1' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 87' ' ' VAL . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 61' ' ' TYR . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.421 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' OE1' ' A' ' 98' ' ' GLN . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG12 HG13 ' A' ' 67' ' ' VAL . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.754 HD22 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 108' ' ' LYS . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 87' ' ' VAL . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' A' ' 83' ' ' VAL . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 122' ' ' CYS . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.537 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.746 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.739 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.54 ' H ' HD12 ' A' ' 116' ' ' LEU . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 111' ' ' VAL . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.537 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.746 HD11 ' CB ' ' A' ' 107' ' ' TRP . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' SG ' ' A' ' 122' ' ' CYS . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.67 ' SG ' HD12 ' A' ' 120' ' ' LEU . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 126' ' ' VAL . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.513 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 38.4 tp60 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 117.309 2.337 . . . . 10.0 117.309 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.452 ' NE2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.59 ' OG1' HD12 ' A' ' 42' ' ' ILE . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 120' ' ' LEU . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 78' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 37' ' ' LEU . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 36' ' ' ARG . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 40' ' ' THR . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.59 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.433 ' C ' ' HB2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.605 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 56' ' ' SER . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.417 ' HG2' ' C ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 87' ' ' VAL . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 48' ' ' ASP . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HD2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.43 HG23 ' SG ' ' A' ' 96' ' ' CYS . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 94' ' ' LEU . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.421 ' CD1' HG11 ' A' ' 67' ' ' VAL . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' VAL . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' HG22 ' A' ' 97' ' ' VAL . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.434 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HB2' ' HD2' ' A' ' 84' ' ' LYS . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 120' ' ' LEU . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.881 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.904 ' CG ' HD13 ' A' ' 118' ' ' LEU . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.595 ' C ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG23 ' C ' ' A' ' 110' ' ' TRP . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.904 HD13 ' CG ' ' A' ' 109' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.455 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.72 ' OG1' HD12 ' A' ' 42' ' ' ILE . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' OG1' ' A' ' 30' ' ' THR . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 26' ' ' ILE . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.674 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.828 HD12 ' CG ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 37' ' ' LEU . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.72 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.576 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' HB2' HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 67' ' ' VAL . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' HG13 ' A' ' 87' ' ' VAL 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.792 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.664 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.486 ' C ' HG23 ' A' ' 111' ' ' VAL . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 116' ' ' LEU . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.792 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.52 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 116' ' ' LEU . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.503 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 123.629 1.681 . . . . 10.0 112.379 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 14.2 mm100 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.741 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.846 ' HB ' HD12 ' A' ' 24' ' ' LEU . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' C ' HG22 ' A' ' 42' ' ' ILE 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ASP . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' HG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 56' ' ' SER . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CG ' ' N ' ' A' ' 66' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 67' ' ' VAL . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 69' ' ' VAL 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 86' ' ' LEU . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.538 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.538 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 94' ' ' LEU . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.439 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 93' ' ' THR . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.468 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 84' ' ' LYS . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.81 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.718 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.741 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.81 HD11 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' NE2' ' A' ' 129' ' ' GLN . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 118' ' ' LEU . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt . . . . . 0 CA--C 1.509 -0.614 0 N-CA-C 114.857 1.428 . . . . 10.0 114.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.931 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.536 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 78' ' ' LEU 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' THR . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD2' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.549 HG21 HD13 ' A' ' 26' ' ' ILE . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 31' ' ' ARG . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' C ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.931 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.1 t-20 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.541 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' OG1' ' A' ' 66' ' ' THR . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.575 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 74' ' ' HIS . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 96' ' ' CYS . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HD23 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' A' ' 108' ' ' LYS . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.616 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.616 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 83' ' ' VAL . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.823 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.605 ' HG2' HG22 ' A' ' 95' ' ' VAL . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.706 ' CB ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.691 ' HB3' HG23 ' A' ' 93' ' ' THR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' A' ' 109' ' ' GLN . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.823 HD11 ' CB ' ' A' ' 107' ' ' TRP . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.891 HG22 HG13 ' A' ' 126' ' ' VAL . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.891 HG13 HG22 ' A' ' 121' ' ' THR . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 114.583 1.327 . . . . 10.0 114.583 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.675 ' OG1' HD12 ' A' ' 42' ' ' ILE . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.724 ' CE3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 1.053 HG21 HG21 ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 1.053 HG21 HG21 ' A' ' 26' ' ' ILE . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.534 ' CG ' ' HA ' ' A' ' 56' ' ' SER . 2.7 mm-40 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' C ' HG22 ' A' ' 42' ' ' ILE . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.675 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 109' ' ' GLN 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.565 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.534 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' NE2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HE3' ' HA2' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 86' ' ' LEU . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.629 HD12 ' SG ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 ' HD3' ' A' ' 108' ' ' LYS 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' HD12 ' A' ' 94' ' ' LEU . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 106' ' ' GLY . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.55 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' A' ' 84' ' ' LYS . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.571 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.889 ' HB3' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' A' ' 95' ' ' VAL . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 43' ' ' ILE . 12.7 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.723 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.724 HD12 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.494 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 107' ' ' TRP . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 126' ' ' VAL . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 121' ' ' THR . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.739 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 118.809 2.892 . . . . 10.0 118.809 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 44' ' ' VAL . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.727 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.931 ' HG2' HG23 ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 78' ' ' LEU 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.578 HG21 ' OG1' ' A' ' 30' ' ' THR . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 33' ' ' ILE . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' HG21 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.791 HD13 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.931 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.791 ' CD1' HD13 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.567 ' HB2' HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.485 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 94' ' ' LEU . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 87' ' ' VAL 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 108' ' ' LYS . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.625 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.645 ' HG2' HG22 ' A' ' 95' ' ' VAL . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.574 ' HB3' HD13 ' A' ' 118' ' ' LEU . 2.8 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.453 ' HA ' ' HG3' ' A' ' 133' ' ' LYS . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.599 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.412 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.537 HG21 ' HE3' ' A' ' 133' ' ' LYS . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.425 HD21 ' HE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' ILE 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.72 ' CD1' HD23 ' A' ' 78' ' ' LEU . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 HG21 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 44' ' ' VAL 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 78' ' ' LEU . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' H ' HG22 ' A' ' 93' ' ' THR . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 95' ' ' VAL . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.485 ' C ' HG22 ' A' ' 97' ' ' VAL . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.726 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.721 ' HG2' HD11 ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 107' ' ' TRP . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.511 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 67.2 tp60 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.479 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.547 ' HB ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.641 ' CD1' ' HE2' ' A' ' 41' ' ' LYS 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 40' ' ' THR 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.484 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 HG21 ' A' ' 30' ' ' THR . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG21 ' A' ' 26' ' ' ILE . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.76 HG22 ' CD2' ' A' ' 17' ' ' PHE . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.43 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 2.5 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.641 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 44' ' ' VAL 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 67' ' ' VAL . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 66' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' N ' ' A' ' 96' ' ' CYS . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.615 ' HE1' HG11 ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.516 ' C ' HG23 ' A' ' 87' ' ' VAL . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.678 ' N ' HG23 ' A' ' 87' ' ' VAL . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.459 HG13 ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.679 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.941 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.549 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 107' ' ' TRP . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 106' ' ' GLY . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 120' ' ' LEU 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.606 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.6 tp60 -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 117.169 2.285 . . . . 10.0 117.169 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.505 ' OE1' HD13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.763 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.481 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.662 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 120' ' ' LEU . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 23' ' ' ALA 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 26' ' ' ILE . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.685 HD13 ' C ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.763 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.532 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.532 ' N ' HG12 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 87' ' ' VAL 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 4 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.692 ' CB ' HG23 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.926 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 118' ' ' LEU . 3.1 tt0 -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.546 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 107' ' ' TRP . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 1.9 tp60 -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 129' ' ' GLN 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.495 -1.147 0 N-CA-C 114.943 1.46 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.838 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 40' ' ' THR . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' THR . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.42 ' OD1' ' NE2' ' A' ' 129' ' ' GLN . 4.2 m-20 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.558 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 79' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.493 HG22 ' NH1' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 10' ' ' GLU . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.402 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.838 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 30' ' ' THR . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CD2' HG22 ' A' ' 85' ' ' THR . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.474 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' ILE . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.597 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.622 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 108' ' ' LYS . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.477 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.477 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.435 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.661 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.595 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.716 ' HB2' HD11 ' A' ' 118' ' ' LEU 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.78 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.702 ' HB3' HG23 ' A' ' 93' ' ' THR . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 109' ' ' GLN . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.44 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HB3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 119.24 -0.41 . . . . 10.0 111.812 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.437 ' CD ' HD22 ' A' ' 94' ' ' LEU . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 127' ' ' CYS . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.909 ' CG1' HG21 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.778 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.909 HG21 ' CG1' ' A' ' 26' ' ' ILE . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 31' ' ' ARG . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 55' ' ' ASN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 42' ' ' ILE . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.467 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.562 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.495 ' HB2' ' ND2' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 66' ' ' THR . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 7.7 m120 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.56 HD13 ' OE2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.628 ' CE2' HG22 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' OE2' HD13 ' A' ' 63' ' ' LEU . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.71 HG12 ' HA3' ' A' ' 100' ' ' GLY . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HG11 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.829 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.608 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.608 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.515 ' CD ' HG11 ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.71 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.903 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.829 ' HB3' HG23 ' A' ' 93' ' ' THR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.593 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 8' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 79' ' ' ASP . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 44' ' ' VAL 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.746 ' O ' HG12 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.544 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.524 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 4 3 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 61' ' ' TYR . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 26' ' ' ILE . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 ' HA3' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.524 ' CD1' HG11 ' A' ' 67' ' ' VAL . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 106' ' ' GLY . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.499 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.771 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.847 ' HG3' HD13 ' A' ' 118' ' ' LEU . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.842 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.597 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.847 HD13 ' HG3' ' A' ' 109' ' ' GLN . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' A' ' 118' ' ' LEU . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' OE1' HD13 ' A' ' 43' ' ' ILE . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.527 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.651 ' CD1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HG3' HD22 ' A' ' 37' ' ' LEU . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.599 HD13 ' OE1' ' A' ' 5' ' ' GLN 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.565 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 78' ' ' LEU . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' CE2' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 69' ' ' VAL . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG21 ' NE2' ' A' ' 98' ' ' GLN . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 94' ' ' LEU . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 95' ' ' VAL . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.713 ' NE2' HG21 ' A' ' 83' ' ' VAL 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.497 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.688 ' CD ' HD13 ' A' ' 118' ' ' LEU . 5.6 mm-40 -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.49 ' C ' HG23 ' A' ' 111' ' ' VAL 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 110' ' ' TRP . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' HA ' ' H ' ' A' ' 133' ' ' LYS . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.487 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.688 HD13 ' CD ' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 120' ' ' LEU . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.603 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' H ' ' HA ' ' A' ' 114' ' ' ASP . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HE2' ' CA ' ' A' ' 92' ' ' ASN . 2.3 mmtm . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 116.628 2.085 . . . . 10.0 116.628 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.769 ' OG1' HD12 ' A' ' 42' ' ' ILE . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.713 ' HZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.4 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.788 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' MET . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD23 HD12 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.546 HD12 HD23 ' A' ' 24' ' ' LEU . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 26' ' ' ILE . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.682 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.411 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.788 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.553 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 42' ' ' ILE . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.769 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.713 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' HB2' HG13 ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' NZ ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CE2' ' A' ' 65' ' ' PHE . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 96' ' ' CYS . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 87' ' ' VAL . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' H ' ' HB ' ' A' ' 93' ' ' THR . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 87' ' ' VAL . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.423 HE22 ' NE ' ' A' ' 105' ' ' ARG . 1.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' NZ ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.2 t30 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 122' ' ' CYS . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.601 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 3.7 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.601 HD11 ' CB ' ' A' ' 107' ' ' TRP . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 105' ' ' ARG . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.615 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.591 ' OG1' HD12 ' A' ' 42' ' ' ILE . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.915 ' HG2' HG23 ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.731 ' CD1' HG22 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' ' 23' ' ' ALA 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 5 4 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 26' ' ' ILE . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.848 HD13 ' CD1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 11' ' ' MET . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 pt20 -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.915 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.591 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.751 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.544 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.577 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.504 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.848 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' OH ' HG22 ' A' ' 75' ' ' THR . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 48' ' ' ASP . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' VAL . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.656 ' CG ' HD12 ' A' ' 86' ' ' LEU . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.738 HG21 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.738 ' CZ ' HG21 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG21 ' OE1' ' A' ' 98' ' ' GLN . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 70' ' ' GLU . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 96' ' ' CYS . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.431 HD13 HE22 ' A' ' 5' ' ' GLN . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.567 ' HB2' HG22 ' A' ' 87' ' ' VAL . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.652 ' OE1' HG21 ' A' ' 83' ' ' VAL . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 83' ' ' VAL 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 4 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.691 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.539 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 109' ' ' GLN . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.624 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.624 HD13 ' SG ' ' A' ' 122' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 120' ' ' LEU . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 120' ' ' LEU . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.486 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD3' ' HE3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 117.397 -1.287 . . . . 10.0 112.348 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 94' ' ' LEU . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.584 ' OG1' HD12 ' A' ' 42' ' ' ILE . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.779 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG3' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' A' ' 130' ' ' VAL . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.608 ' HE2' HD22 ' A' ' 24' ' ' LEU . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.714 HD12 ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' THR . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 26' ' ' ILE . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.897 HD12 ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.7 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 41' ' ' LYS . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' A' ' 42' ' ' ILE 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.779 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 66' ' ' THR . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 67' ' ' VAL 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 78' ' ' LEU . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 50' ' ' PHE . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD22 HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.714 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 70' ' ' GLU . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.506 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 87' ' ' VAL 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.522 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.739 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 1.012 ' HG2' HD13 ' A' ' 118' ' ' LEU . 26.1 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 1.012 HD13 ' HG2' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.596 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 12' ' ' GLU . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' HG2' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.518 ' HD2' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.529 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 117.596 2.443 . . . . 10.0 117.596 . . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.815 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.538 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 122' ' ' CYS . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.935 ' CG1' HG21 ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.935 HG21 ' CG1' ' A' ' 26' ' ' ILE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.579 ' HB3' HD22 ' A' ' 37' ' ' LEU . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.815 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.541 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 69' ' ' VAL 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.407 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' HG23 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG1' HG13 ' A' ' 67' ' ' VAL . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.529 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG22 ' HD3' ' A' ' 108' ' ' LYS . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.489 ' C ' HG22 ' A' ' 97' ' ' VAL . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.518 ' HA ' HG12 ' A' ' 97' ' ' VAL . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.873 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' HG3' HD13 ' A' ' 118' ' ' LEU 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 4 3 . 1 . 021 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CB ' HG23 ' A' ' 93' ' ' THR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.873 HD11 ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.489 ' HG ' ' HG2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' ' ' ALA 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 127' ' ' CYS . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.433 ' N ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.489 ' HG2' ' HG ' ' A' ' 120' ' ' LEU . 28.8 mm100 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.812 ' CE1' HD23 ' A' ' 118' ' ' LEU . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.487 0 N-CA-C 115.677 1.732 . . . . 10.0 115.677 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.484 HD21 ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CE2' ' NE2' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.562 HG23 ' HB ' ' A' ' 30' ' ' THR . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CE1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 26' ' ' ILE . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HA ' HG23 ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD12 ' H ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CE ' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE3' ' CD1' ' A' ' 9' ' ' TRP 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.553 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 44' ' ' VAL . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' THR . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.587 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' CG ' ' A' ' 72' ' ' ASP . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 106' ' ' GLY . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 83' ' ' VAL . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.764 ' HB2' HD13 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.515 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . 0.416 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' A' ' 109' ' ' GLN . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.464 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 120' ' ' LEU . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 127' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 116' ' ' LEU . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.192 0 CA-C-O 122.171 0.986 . . . . 10.0 113.115 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.553 ' HG3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.527 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 35' ' ' VAL . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 120' ' ' LEU . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 24' ' ' LEU 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 67' ' ' VAL . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.755 ' HB3' HD12 ' A' ' 86' ' ' LEU 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 4 3 . 1 . 023 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.64 HG23 HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.64 HG21 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.597 HG22 ' CE2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 65' ' ' PHE . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 103' ' ' GLU . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' H ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.415 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.995 ' HG2' HD13 ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.735 ' CB ' HG23 ' A' ' 93' ' ' THR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' A' ' 116' ' ' LEU . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.995 HD13 ' HG2' ' A' ' 109' ' ' GLN . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.415 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.652 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.527 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 . . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.656 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.616 ' HE1' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' C ' HD23 ' A' ' 24' ' ' LEU . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.616 ' HB ' ' HE1' ' A' ' 21' ' ' MET . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.628 HD13 ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.646 HD13 HE21 ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.646 HE21 HD13 ' A' ' 37' ' ' LEU . 76.3 mm-40 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.656 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' LYS . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.542 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 69' ' ' VAL . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.622 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.515 ' C ' HG22 ' A' ' 97' ' ' VAL . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' HB ' ' A' ' 83' ' ' VAL . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.501 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 107' ' ' TRP . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' THR . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 120' ' ' LEU . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.547 ' C ' HG23 ' A' ' 126' ' ' VAL . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.547 HG23 ' C ' ' A' ' 125' ' ' GLN . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.619 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.6 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' TRP 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 117.802 2.519 . . . . 10.0 117.802 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 94' ' ' LEU . 23.3 mm100 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' TRP . . . . . 0.676 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 40' ' ' THR 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 1.044 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 22' ' ' LYS . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD12 HG12 ' A' ' 26' ' ' ILE 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 5 4 . 1 . 025 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.811 HG12 HD12 ' A' ' 24' ' ' LEU . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.752 HG21 HG13 ' A' ' 26' ' ' ILE . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.044 HG22 ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' HG2' ' A' ' 10' ' ' GLU . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' HB2' HD12 ' A' ' 78' ' ' LEU 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 87' ' ' VAL . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 69' ' ' VAL 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 74' ' ' HIS . . . . . 0.503 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 83' ' ' VAL 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD13 ' A' ' 26' ' ' ILE . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA3' ' OG1' ' A' ' 75' ' ' THR . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.746 HG23 ' SG ' ' A' ' 96' ' ' CYS . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 96' ' ' CYS . . . . . 0.746 ' SG ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.62 ' HG2' ' N ' ' A' ' 99' ' ' LYS 0.39 22.6 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.706 ' C ' ' HD3' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.863 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.863 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 3 2 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 107' ' ' TRP . . . . . 0.885 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.635 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 110' ' ' TRP . . . . . 0.586 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.885 HD11 ' CB ' ' A' ' 107' ' ' TRP . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' GLN . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 126' ' ' VAL . . . . . 0.615 HG23 ' C ' ' A' ' 125' ' ' GLN . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.661 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 116' ' ' LEU 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtm . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 106.787 -1.56 . . . . 10.0 106.787 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m -90.18 44.62 1.21 Allowed 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 120.852 -1.155 . . . . 10.0 111.794 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -141.23 -42.94 0.37 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.463 HE22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' OE2' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 35' ' ' VAL . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.721 ' HE2' H181 ' A' ' 135' ' ' RTL . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 24' ' ' LEU . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.528 HG21 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 44' ' ' VAL 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' N ' HG22 ' A' ' 43' ' ' ILE . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.561 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' A' ' 53' ' ' LYS . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CB ' H171 ' A' ' 135' ' ' RTL . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 89' ' ' TRP . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.452 HD11 H172 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.519 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.584 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' HG11 ' A' ' 67' ' ' VAL . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG22 ' HE2' ' A' ' 108' ' ' LYS . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.44 ' HB2' HG22 ' A' ' 87' ' ' VAL . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.628 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.61 ' HE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.608 ' CD ' HD13 ' A' ' 118' ' ' LEU . 1.5 tp60 -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 117' ' ' TYR . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.666 ' N ' HD23 ' A' ' 116' ' ' LEU . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD23 ' HG3' ' A' ' 129' ' ' GLN . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.741 HD22 ' SG ' ' A' ' 122' ' ' CYS . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 126' ' ' VAL . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.741 ' SG ' HD22 ' A' ' 120' ' ' LEU . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 121' ' ' THR . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.76 ' HG3' HD23 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.508 HG11 ' OE2' ' A' ' 12' ' ' GLU . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.756 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.43 0 N-CA-C 107.235 -1.395 . . . . 10.0 107.235 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p 35.51 -92.07 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 0 O-C-N 128.357 3.535 . . . . 10.0 111.63 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt -158.15 21.09 0.25 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 114.621 -2.831 . . . . 10.0 113.404 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.666 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' OH ' H193 ' A' ' 135' ' ' RTL . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 122' ' ' CYS . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.509 HG22 ' H41' ' A' ' 135' ' ' RTL . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.937 HD22 ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.937 ' N ' HD22 ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 41' ' ' LYS . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' HG22 ' A' ' 43' ' ' ILE . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG2' ' HB3' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.823 HG21 ' H10' ' A' ' 135' ' ' RTL . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.655 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD2' HG22 ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.74 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 83' ' ' VAL . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 33.8 p80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.74 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.412 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 90' ' ' GLU . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' HG22 ' A' ' 97' ' ' VAL . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.825 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.55 ' HG3' HD13 ' A' ' 118' ' ' LEU . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.646 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.646 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 120' ' ' LEU . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 47.6 tp60 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 118' ' ' LEU . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.5 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.823 ' H10' HG21 ' A' ' 54' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.83 0.348 . . . . 10.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 HG22 ' HD2' ' A' ' 3' ' ' LYS . 37.3 m 51.03 73.27 0.3 Allowed 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 117.825 -1.083 . . . . 10.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.577 ' HD2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER 44.19 -77.97 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 128.224 3.452 . . . . 10.0 115.046 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' THR . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' OE1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.416 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.755 ' OG1' HD12 ' A' ' 42' ' ' ILE . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HB3' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.826 ' OH ' H192 ' A' ' 135' ' ' RTL . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 78' ' ' LEU . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.69 ' HG3' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.73 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 44' ' ' VAL 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.603 HG21 ' H10' ' A' ' 135' ' ' RTL . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.52 ' CB ' ' H22' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD23 ' H12' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' CG2' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.84 HG11 ' HD1' ' A' ' 89' ' ' TRP . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 73' ' ' GLU . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.666 HG12 HG13 ' A' ' 67' ' ' VAL . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.84 ' HD1' HG11 ' A' ' 67' ' ' VAL . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 95' ' ' VAL . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.497 ' H ' HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG23 ' HG3' ' A' ' 90' ' ' GLU 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.618 ' NH2' H193 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.537 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.537 HD11 ' CB ' ' A' ' 107' ' ' TRP . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.657 HD22 ' SG ' ' A' ' 122' ' ' CYS . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.657 ' SG ' HD22 ' A' ' 120' ' ' LEU . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.826 H192 ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttp . . . . . 0 N--CA 1.515 2.807 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 ' C ' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -58.45 -73.34 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.132 -1.427 . . . . 10.0 108.936 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -163.51 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.754 ' OE1' HD22 ' A' ' 94' ' ' LEU . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.843 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 40' ' ' THR . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 24' ' ' LEU 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG12 HG21 ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.7 HG21 HG12 ' A' ' 26' ' ' ILE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.627 HG22 HD23 ' A' ' 37' ' ' LEU . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 12' ' ' GLU . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' H ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.843 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 21.3 t-20 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.479 ' OG1' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 87' ' ' VAL . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 61' ' ' TYR . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.421 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' OE1' ' A' ' 98' ' ' GLN . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG12 HG13 ' A' ' 67' ' ' VAL . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.754 HD22 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 108' ' ' LYS . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 87' ' ' VAL . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' A' ' 83' ' ' VAL . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 122' ' ' CYS . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.537 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.746 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.739 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.54 ' H ' HD12 ' A' ' 116' ' ' LEU . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 111' ' ' VAL . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.537 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.746 HD11 ' CB ' ' A' ' 107' ' ' TRP . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' SG ' ' A' ' 122' ' ' CYS . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.67 ' SG ' HD12 ' A' ' 120' ' ' LEU . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 126' ' ' VAL . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.513 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 38.4 tp60 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 N-CA-C 106.602 -1.629 . . . . 10.0 106.602 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -153.89 -53.96 0.1 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.949 1.833 . . . . 10.0 108.292 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.04 175.27 13.61 Favored 'General case' 0 C--N 1.365 1.244 0 CA-C-N 111.517 -2.583 . . . . 10.0 117.309 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.452 ' NE2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.59 ' OG1' HD12 ' A' ' 42' ' ' ILE . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.628 ' OH ' H193 ' A' ' 135' ' ' RTL . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 78' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 37' ' ' LEU . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 36' ' ' ARG . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' NZ ' ' C14' ' A' ' 135' ' ' RTL . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.59 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.575 HG21 ' H10' ' A' ' 135' ' ' RTL . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.433 ' C ' ' HB2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.605 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 56' ' ' SER . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' O ' H173 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.7 p30 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 87' ' ' VAL . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 48' ' ' ASP . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HD2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.43 HG23 ' SG ' ' A' ' 96' ' ' CYS . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 94' ' ' LEU . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.421 ' CD1' HG11 ' A' ' 67' ' ' VAL . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' VAL . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' HG22 ' A' ' 97' ' ' VAL . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.434 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HB2' ' HD2' ' A' ' 84' ' ' LYS . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 120' ' ' LEU . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.881 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.904 ' CG ' HD13 ' A' ' 118' ' ' LEU . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.595 ' C ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG23 ' C ' ' A' ' 110' ' ' TRP . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.904 HD13 ' CG ' ' A' ' 109' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.706 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 54.71 -154.37 0.28 Allowed 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 113.472 -1.695 . . . . 10.0 107.473 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -84.95 -40.69 16.67 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.455 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 0.1 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.72 ' OG1' HD12 ' A' ' 42' ' ' ILE . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' ' H7 ' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' OG1' ' A' ' 30' ' ' THR . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 26' ' ' ILE . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.674 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.828 HD12 ' CG ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 37' ' ' LEU . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.72 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.576 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.455 ' NE2' ' HB2' ' A' ' 5' ' ' GLN . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' HB2' HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.745 ' HB3' H172 ' A' ' 135' ' ' RTL . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 67' ' ' VAL . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' HG13 ' A' ' 87' ' ' VAL 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.792 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.664 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.486 ' C ' HG23 ' A' ' 111' ' ' VAL . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 116' ' ' LEU . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.792 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.52 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 116' ' ' LEU . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.503 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.745 H172 ' HB3' ' A' ' 59' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 179.08 5.87 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 106.045 -1.835 . . . . 10.0 106.045 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -64.91 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 115.291 -2.564 . . . . 10.0 112.379 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' HA ' ' OE1' ' A' ' 5' ' ' GLN . 14.2 mm100 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.741 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.846 ' HB ' HD12 ' A' ' 24' ' ' LEU . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.588 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' C ' HG22 ' A' ' 42' ' ' ILE 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ASP . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.482 ' OG ' H162 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 56' ' ' SER . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CG ' ' N ' ' A' ' 66' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 67' ' ' VAL . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 69' ' ' VAL 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 86' ' ' LEU . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.538 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.538 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 94' ' ' LEU . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.439 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 93' ' ' THR . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.468 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 84' ' ' LYS . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.81 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.718 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.741 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.81 HD11 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' NE2' ' A' ' 129' ' ' GLN . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 118' ' ' LEU . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.759 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttm . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 m -122.45 -49.46 2.03 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.094 -1.817 . . . . 10.0 106.094 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt -135.3 31.9 3.15 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 116.974 -1.89 . . . . 10.0 114.857 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.931 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.536 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 78' ' ' LEU 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' THR . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD2' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.549 HG21 HD13 ' A' ' 26' ' ' ILE . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.929 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 31' ' ' ARG . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' CD ' ' H14' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.931 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.1 t-20 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.541 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' OG1' ' A' ' 66' ' ' THR . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.575 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.539 ' O ' ' CE1' ' A' ' 74' ' ' HIS . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 96' ' ' CYS . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HD23 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' A' ' 108' ' ' LYS . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.616 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.616 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 83' ' ' VAL . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.823 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.605 ' HG2' HG22 ' A' ' 95' ' ' VAL . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.706 ' CB ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.691 ' HB3' HG23 ' A' ' 93' ' ' THR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' A' ' 109' ' ' GLN . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.823 HD11 ' CB ' ' A' ' 107' ' ' TRP . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.891 HG22 HG13 ' A' ' 126' ' ' VAL . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.891 HG13 HG22 ' A' ' 121' ' ' THR . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.929 ' H31' ' HB2' ' A' ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.513 2.692 0 CA-C-O 125.853 2.74 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -87.29 108.28 18.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 112.537 -2.12 . . . . 10.0 105.685 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt 38.45 -89.5 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 129.088 3.992 . . . . 10.0 114.583 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.407 ' ND2' ' N ' ' A' ' 6' ' ' ASN . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.675 ' OG1' HD12 ' A' ' 42' ' ' ILE . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.724 ' CE3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 1.053 HG21 HG21 ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 1.053 HG21 HG21 ' A' ' 26' ' ' ILE . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.534 ' CG ' ' HA ' ' A' ' 56' ' ' SER . 2.7 mm-40 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HD2' ' C14' ' A' ' 135' ' ' RTL . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.675 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.888 HD11 ' NE2' ' A' ' 109' ' ' GLN 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.565 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.534 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD21 ' H32' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' NE2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HE3' ' HA2' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 86' ' ' LEU . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.629 HD12 ' SG ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 ' HD3' ' A' ' 108' ' ' LYS 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' HD12 ' A' ' 94' ' ' LEU . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 106' ' ' GLY . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.55 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' A' ' 84' ' ' LYS . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.828 ' NH2' H193 ' A' ' 135' ' ' RTL . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.571 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.889 ' HB3' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' A' ' 95' ' ' VAL . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.888 ' NE2' HD11 ' A' ' 43' ' ' ILE . 12.7 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.723 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.724 HD12 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.494 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 107' ' ' TRP . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 126' ' ' VAL . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 121' ' ' THR . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.739 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.828 H193 ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.29 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -107.99 -166.08 1.1 Allowed 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -100.88 -59.43 1.7 Allowed 'General case' 0 N--CA 1.438 -1.048 0 O-C-N 128.557 3.661 . . . . 10.0 118.809 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 44' ' ' VAL . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.727 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.931 ' HG2' HG23 ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.596 ' OH ' H192 ' A' ' 135' ' ' RTL . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 78' ' ' LEU 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.578 HG21 ' OG1' ' A' ' 30' ' ' THR . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 33' ' ' ILE . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' HG21 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.791 HD13 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' OE1' H161 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.931 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.577 ' CB ' H162 ' A' ' 135' ' ' RTL . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.791 ' CD1' HD13 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HB3' ' H22' ' A' ' 135' ' ' RTL . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.567 ' HB2' HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.485 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 94' ' ' LEU . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 87' ' ' VAL 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 108' ' ' LYS . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.625 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.645 ' HG2' HG22 ' A' ' 95' ' ' VAL . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.574 ' HB3' HD13 ' A' ' 118' ' ' LEU . 1.9 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' HA ' ' HG3' ' A' ' 133' ' ' LYS . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.599 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.412 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.763 H171 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.957 0 CA-C-O 122.353 1.073 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 163.75 35.65 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.803 1.287 . . . . 10.0 108.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt -65.45 156.39 32.53 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.537 HG21 ' HE3' ' A' ' 133' ' ' LYS . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.425 HD21 ' HE2' ' A' ' 20' ' ' TYR . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' ILE 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.72 ' CD1' HD23 ' A' ' 78' ' ' LEU . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 HG21 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 44' ' ' VAL 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.417 HG21 ' H10' ' A' ' 135' ' ' RTL . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB3' ' H32' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 78' ' ' LEU . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' H ' HG22 ' A' ' 93' ' ' THR . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 95' ' ' VAL . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.485 ' C ' HG22 ' A' ' 97' ' ' VAL . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.726 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.721 ' HG2' HD11 ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 107' ' ' TRP . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.511 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 67.2 tp60 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.479 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.71 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.0 m -87.58 -39.46 15.08 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 111.682 -2.508 . . . . 10.0 107.209 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -88.55 -70.65 0.63 Allowed 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.547 ' HB ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.641 ' CD1' ' HE2' ' A' ' 41' ' ' LYS 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 40' ' ' THR 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.484 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 HG21 ' A' ' 30' ' ' THR . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG21 ' A' ' 26' ' ' ILE . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.76 HG22 ' CD2' ' A' ' 17' ' ' PHE . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.43 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 11.6 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.641 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 44' ' ' VAL 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 67' ' ' VAL . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.453 HG21 ' H10' ' A' ' 135' ' ' RTL . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 66' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' N ' ' A' ' 96' ' ' CYS . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.615 ' HE1' HG11 ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.516 ' C ' HG23 ' A' ' 87' ' ' VAL . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.678 ' N ' HG23 ' A' ' 87' ' ' VAL . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG13 ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.679 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.941 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.549 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 107' ' ' TRP . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 106' ' ' GLY . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 120' ' ' LEU 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.606 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.6 tp60 -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.614 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 122.357 1.075 . . . . 10.0 108.132 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.8 126.81 31.43 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-N 113.997 -1.456 . . . . 10.0 107.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 168.01 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.9 1 O-C-N 129.997 4.56 . . . . 10.0 117.169 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.994 HE22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.763 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.481 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.662 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 120' ' ' LEU . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 23' ' ' ALA 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 26' ' ' ILE . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.685 HD13 ' C ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.994 HD13 HE22 ' A' ' 5' ' ' GLN 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.532 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.519 HG21 ' H10' ' A' ' 135' ' ' RTL . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HB3' ' H31' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.532 ' N ' HG12 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 87' ' ' VAL 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 4 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.692 ' CB ' HG23 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.926 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.546 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 107' ' ' TRP . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 1.9 tp60 -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 129' ' ' GLN 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.507 2.417 0 N-CA-C 106.123 -1.806 . . . . 10.0 106.123 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.08 170.91 0.71 Allowed 'General case' 0 C--O 1.2 -1.535 0 O-C-N 125.298 1.624 . . . . 10.0 107.167 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 159.28 0.77 Allowed 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 126.809 2.568 . . . . 10.0 114.943 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.838 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 40' ' ' THR . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' THR . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.42 ' OD1' ' NE2' ' A' ' 129' ' ' GLN . 4.2 m-20 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.558 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 79' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.493 HG22 ' NH1' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.608 HH22 H182 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 10' ' ' GLU . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.402 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.838 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 30' ' ' THR . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CD2' HG22 ' A' ' 85' ' ' THR . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.474 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' ILE . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.597 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.622 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 108' ' ' LYS . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.477 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.477 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.435 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.661 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.648 ' NH2' H193 ' A' ' 135' ' ' RTL . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.595 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.716 ' HB2' HD11 ' A' ' 118' ' ' LEU 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.78 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.702 ' HB3' HG23 ' A' ' 93' ' ' THR . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 109' ' ' GLN . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.44 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HB3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.727 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 105.965 -1.865 . . . . 10.0 105.965 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m 79.82 -67.27 0.14 Allowed 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 126.069 2.106 . . . . 10.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.1 173.76 6.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 124.943 1.402 . . . . 10.0 111.812 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' CD ' HD22 ' A' ' 94' ' ' LEU . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 127' ' ' CYS . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.909 ' CG1' HG21 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.778 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.909 HG21 ' CG1' ' A' ' 26' ' ' ILE . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 31' ' ' ARG . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 55' ' ' ASN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 42' ' ' ILE . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.467 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.562 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.495 ' HB2' ' ND2' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 66' ' ' THR . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 7.7 m120 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.56 HD13 ' OE2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.628 ' CE2' HG22 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' OE2' HD13 ' A' ' 63' ' ' LEU . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.71 HG12 ' HA3' ' A' ' 100' ' ' GLY . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HG11 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.829 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.608 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.608 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.515 ' CD ' HG11 ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.71 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.903 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.829 ' HB3' HG23 ' A' ' 93' ' ' THR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.593 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.1 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 8' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.536 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.666 ' O ' HG23 ' A' ' 2' ' ' THR . 1.4 ttt . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 105.373 -2.084 . . . . 10.0 105.373 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -167.49 -178.87 4.15 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 112.916 -1.947 . . . . 10.0 107.854 -179.606 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -134.78 -40.18 0.78 Allowed 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 128.528 3.642 . . . . 10.0 113.821 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' H183 ' A' ' 135' ' ' RTL . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 79' ' ' ASP . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' H42' ' A' ' 135' ' ' RTL . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 44' ' ' VAL 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.746 ' O ' HG12 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.544 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.6 HG21 ' H10' ' A' ' 135' ' ' RTL . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.524 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 4 3 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD21 ' H22' ' A' ' 135' ' ' RTL . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 26' ' ' ILE . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 ' HA3' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.524 ' CD1' HG11 ' A' ' 67' ' ' VAL . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 106' ' ' GLY . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.499 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.771 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.847 ' HG3' HD13 ' A' ' 118' ' ' LEU . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.842 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.597 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.847 HD13 ' HG3' ' A' ' 109' ' ' GLN . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' A' ' 118' ' ' LEU . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.6 ' H10' HG21 ' A' ' 54' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.13 -66.75 0.95 Allowed 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.597 1.186 . . . . 10.0 108.47 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? -135.73 172.19 13.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' OE1' HD13 ' A' ' 43' ' ' ILE . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.527 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.651 ' CD1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.605 ' OH ' H192 ' A' ' 135' ' ' RTL . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 H183 ' A' ' 135' ' ' RTL . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HG3' HD22 ' A' ' 37' ' ' LEU . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.599 HD13 ' OE1' ' A' ' 5' ' ' GLN 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.565 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.648 HG21 ' H10' ' A' ' 135' ' ' RTL . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.717 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 78' ' ' LEU . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' CE2' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 69' ' ' VAL . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.868 HD21 H172 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG21 ' NE2' ' A' ' 98' ' ' GLN . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 94' ' ' LEU . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 95' ' ' VAL . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.713 ' NE2' HG21 ' A' ' 83' ' ' VAL 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.497 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.71 ' NE2' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.49 ' C ' HG23 ' A' ' 111' ' ' VAL 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 110' ' ' TRP . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' HA ' ' H ' ' A' ' 133' ' ' LYS . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.487 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.71 HD13 ' NE2' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 120' ' ' LEU . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.603 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' H ' ' HA ' ' A' ' 114' ' ' ASP . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.868 H172 HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 N--CA 1.504 2.245 0 N-CA-C 106.924 -1.51 . . . . 10.0 106.924 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.8 m 60.6 86.72 0.1 Allowed 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.308 2.255 . . . . 10.0 109.436 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HE2' ' CA ' ' A' ' 92' ' ' ASN . 2.3 mmtm -137.27 -90.02 0.25 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 126.463 2.352 . . . . 10.0 116.628 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.769 ' OG1' HD12 ' A' ' 42' ' ' ILE . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.713 ' HZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.4 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.788 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.764 ' OH ' H193 ' A' ' 135' ' ' RTL . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' MET . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD23 HD12 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.546 HD12 HD23 ' A' ' 24' ' ' LEU . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 26' ' ' ILE . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.411 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.769 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.713 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.509 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' HB2' HG13 ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' NZ ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CE2' ' A' ' 65' ' ' PHE . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 96' ' ' CYS . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 87' ' ' VAL . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' H ' ' HB ' ' A' ' 93' ' ' THR . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 87' ' ' VAL . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.423 HE22 ' NE ' ' A' ' 105' ' ' ARG . 1.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' NZ ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 22.2 t30 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 122' ' ' CYS . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CD2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 3.7 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.601 HD11 ' CB ' ' A' ' 107' ' ' TRP . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 105' ' ' ARG . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.615 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.764 H193 ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 126.254 2.93 . . . . 10.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 -55.93 2.26 Favored 'General case' 0 C--O 1.202 -1.412 0 CA-C-N 111.611 -2.54 . . . . 10.0 106.053 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -95.35 163.19 13.36 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 111.72 -2.491 . . . . 10.0 114.458 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.431 HE22 HD13 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.591 ' OG1' HD12 ' A' ' 42' ' ' ILE . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.915 ' HG2' HG23 ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.731 ' CD1' HG22 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' ' 23' ' ' ALA 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 5 4 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 26' ' ' ILE . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.419 HG22 ' H41' ' A' ' 135' ' ' RTL . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.848 HD13 ' CD1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 11' ' ' MET . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.915 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.591 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.751 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.544 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.577 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.504 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.848 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' OH ' HG22 ' A' ' 75' ' ' THR . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 48' ' ' ASP . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' VAL . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.656 ' CG ' HD12 ' A' ' 86' ' ' LEU . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.738 HG21 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.738 ' CZ ' HG21 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG21 ' OE1' ' A' ' 98' ' ' GLN . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 70' ' ' GLU . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 96' ' ' CYS . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.431 HD13 HE22 ' A' ' 5' ' ' GLN . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.567 ' HB2' HG22 ' A' ' 87' ' ' VAL . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.652 ' OE1' HG21 ' A' ' 83' ' ' VAL . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 83' ' ' VAL 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 4 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.691 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.539 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 109' ' ' GLN . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.624 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.624 HD13 ' SG ' ' A' ' 122' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 120' ' ' LEU . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 120' ' ' LEU . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.486 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD3' ' HE3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.74 H171 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.972 1.844 . . . . 10.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 3' ' ' LYS . 23.6 p -150.99 -53.44 0.14 Allowed 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.932 -1.507 . . . . 10.0 106.932 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER -112.72 -59.19 2.05 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 128.86 3.85 . . . . 10.0 112.348 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 94' ' ' LEU . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.584 ' OG1' HD12 ' A' ' 42' ' ' ILE . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.779 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG3' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' A' ' 130' ' ' VAL . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.665 ' OH ' H193 ' A' ' 135' ' ' RTL . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.714 HD12 ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' THR . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 26' ' ' ILE . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.897 HD12 ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB2' ' H41' ' A' ' 135' ' ' RTL . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.0 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 41' ' ' LYS . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' NZ ' ' C15' ' A' ' 135' ' ' RTL 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.779 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 66' ' ' THR . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 67' ' ' VAL 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.506 HG21 ' O1 ' ' A' ' 135' ' ' RTL . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.809 ' CB ' H162 ' A' ' 135' ' ' RTL . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 78' ' ' LEU . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 50' ' ' PHE . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.446 HD21 ' H32' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.714 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 70' ' ' GLU . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.506 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 87' ' ' VAL 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.522 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.739 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 1.012 ' HG2' HD13 ' A' ' 118' ' ' LEU . 26.1 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 1.012 HD13 ' HG2' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.596 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 12' ' ' GLU . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' HG2' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.518 ' HD2' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.809 H162 ' CB ' ' A' ' 56' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 ttm . . . . . 0 N--CA 1.506 2.356 0 CA-C-O 123.904 1.811 . . . . 10.0 108.802 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -120.54 -46.28 2.38 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.797 -1.547 . . . . 10.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.529 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -93.04 -77.41 0.45 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 127.286 2.866 . . . . 10.0 117.596 179.847 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.815 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.538 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 122' ' ' CYS . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.935 ' CG1' HG21 ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.935 HG21 ' CG1' ' A' ' 26' ' ' ILE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.579 ' HB3' HD22 ' A' ' 37' ' ' LEU . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.815 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' HB2' ' C17' ' A' ' 135' ' ' RTL . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 69' ' ' VAL 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.407 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.821 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' HG23 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG1' HG13 ' A' ' 67' ' ' VAL . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.529 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG22 ' HD3' ' A' ' 108' ' ' LYS . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.489 ' C ' HG22 ' A' ' 97' ' ' VAL . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.518 ' HA ' HG12 ' A' ' 97' ' ' VAL . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.873 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' HG3' HD13 ' A' ' 118' ' ' LEU 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 4 3 . 1 . 021 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CB ' HG23 ' A' ' 93' ' ' THR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.873 HD11 ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.489 ' HG ' ' HG2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' ' ' ALA 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 127' ' ' CYS . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.433 ' N ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.489 ' HG2' ' HG ' ' A' ' 120' ' ' LEU . 28.8 mm100 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.812 ' CE1' HD23 ' A' ' 118' ' ' LEU . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.821 ' H42' HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 123.588 1.661 . . . . 10.0 108.821 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -148.52 -70.28 0.21 Allowed 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.317 -2.22 . . . . 10.0 109.541 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -113.79 -157.41 0.62 Allowed 'General case' 0 C--O 1.238 0.487 0 O-C-N 125.554 1.784 . . . . 10.0 115.677 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.484 HD21 ' HA ' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' CE1' H192 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.562 HG23 ' HB ' ' A' ' 30' ' ' THR . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CE1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 26' ' ' ILE . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HA ' HG23 ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD12 ' H ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CE ' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE3' ' CD1' ' A' ' 9' ' ' TRP 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.553 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 44' ' ' VAL . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' THR . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.587 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD21 H172 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' CG ' ' A' ' 72' ' ' ASP . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 106' ' ' GLY . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 83' ' ' VAL . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.764 ' HB2' HD13 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.515 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . 0.416 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' A' ' 109' ' ' GLN . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.464 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 120' ' ' LEU . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 116' ' ' LEU . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.698 H203 ' CE2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.516 2.873 0 N-CA-C 107.059 -1.46 . . . . 10.0 107.059 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -60.31 1.97 Allowed 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 114.006 -1.452 . . . . 10.0 109.069 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -94.49 -33.9 12.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 126.411 2.319 . . . . 10.0 113.115 -179.759 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.553 ' HG3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.527 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 27.7 m-20 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 35' ' ' VAL . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 120' ' ' LEU . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 24' ' ' LEU 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.527 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 67' ' ' VAL . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.755 ' HB3' HD12 ' A' ' 86' ' ' LEU 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 4 3 . 1 . 023 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.64 HG23 HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG21 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.597 HG22 ' CE2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 65' ' ' PHE . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 103' ' ' GLU . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' H ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.415 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.995 ' HG2' HD13 ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.735 ' CB ' HG23 ' A' ' 93' ' ' THR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' A' ' 116' ' ' LEU . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.995 HD13 ' HG2' ' A' ' 109' ' ' GLN . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.415 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.652 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.527 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.757 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.801 0.81 . . . . 10.0 109.901 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.27 169.06 10.94 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 113.901 -1.499 . . . . 10.0 109.552 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -165.79 -37.49 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.656 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.616 ' HE1' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' C ' HD23 ' A' ' 24' ' ' LEU . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.616 ' HB ' ' HE1' ' A' ' 21' ' ' MET . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.628 HD13 ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.646 HD13 HE21 ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.646 HE21 HD13 ' A' ' 37' ' ' LEU . 76.3 mm-40 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.656 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' LYS . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.542 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 69' ' ' VAL . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 H172 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.622 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.515 ' C ' HG22 ' A' ' 97' ' ' VAL . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' HB ' ' A' ' 83' ' ' VAL . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.501 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 107' ' ' TRP . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' THR . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 120' ' ' LEU . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.547 ' C ' HG23 ' A' ' 126' ' ' VAL . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.547 HG23 ' C ' ' A' ' 125' ' ' GLN . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.619 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.6 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' TRP 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.827 H172 HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 123.656 1.693 . . . . 10.0 109.868 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -73.42 0.69 Allowed 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.289 -1.323 . . . . 10.0 109.713 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -156.1 21.09 0.37 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.784 3.177 . . . . 10.0 117.802 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 94' ' ' LEU . 23.3 mm100 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' TRP . . . . . 0.676 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 40' ' ' THR 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 1.044 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 22' ' ' LYS . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' OH ' H192 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD12 HG12 ' A' ' 26' ' ' ILE 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 5 4 . 1 . 025 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.811 HG12 HD12 ' A' ' 24' ' ' LEU . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.752 HG21 HG13 ' A' ' 26' ' ' ILE . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.044 HG22 ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' HG2' ' A' ' 10' ' ' GLU . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.497 ' CB ' H162 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.458 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' HB2' HD12 ' A' ' 78' ' ' LEU 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 87' ' ' VAL . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 69' ' ' VAL 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 74' ' ' HIS . . . . . 0.503 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.3 OUTLIER -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 83' ' ' VAL 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD13 ' A' ' 26' ' ' ILE . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA3' ' OG1' ' A' ' 75' ' ' THR . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.746 HG23 ' SG ' ' A' ' 96' ' ' CYS . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' CYS . . . . . 0.746 ' SG ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.62 ' HG2' ' N ' ' A' ' 99' ' ' LYS 0.39 22.6 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.706 ' C ' ' HD3' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.863 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.863 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 3 2 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 107' ' ' TRP . . . . . 0.885 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.635 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 110' ' ' TRP . . . . . 0.586 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.885 HD11 ' CB ' ' A' ' 107' ' ' TRP . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' GLN . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 126' ' ' VAL . . . . . 0.615 HG23 ' C ' ' A' ' 125' ' ' GLN . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.661 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 116' ' ' LEU 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 135' ' ' RTL . . . . . 0.559 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.501 -0.938 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.463 HE22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.508 ' OE2' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.689 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 35' ' ' VAL . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 24' ' ' LEU . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.528 HG21 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 44' ' ' VAL 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' N ' HG22 ' A' ' 43' ' ' ILE . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.561 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' A' ' 53' ' ' LYS . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 89' ' ' TRP . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.519 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.584 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' HG11 ' A' ' 67' ' ' VAL . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.61 HG22 ' HE2' ' A' ' 108' ' ' LYS . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.44 ' HB2' HG22 ' A' ' 87' ' ' VAL . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.628 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.61 ' HE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.608 ' CD ' HD13 ' A' ' 118' ' ' LEU . 1.5 tp60 -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 117' ' ' TYR . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.666 ' N ' HD23 ' A' ' 116' ' ' LEU . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD23 ' HG3' ' A' ' 129' ' ' GLN . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.741 HD22 ' SG ' ' A' ' 122' ' ' CYS . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 126' ' ' VAL . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.741 ' SG ' HD22 ' A' ' 120' ' ' LEU . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 121' ' ' THR . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.76 ' HG3' HD23 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.508 HG11 ' OE2' ' A' ' 12' ' ' GLU . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt . . . . . 0 CA--C 1.507 -0.673 0 N-CA-C 113.404 0.89 . . . . 10.0 113.404 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.666 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' HE22 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.416 ' CE2' ' CD1' ' A' ' 120' ' ' LEU . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 122' ' ' CYS . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 HG21 HG21 ' A' ' 26' ' ' ILE . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.937 HD22 ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.937 ' N ' HD22 ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 41' ' ' LYS . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' HG22 ' A' ' 43' ' ' ILE . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG2' ' HB3' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.551 HG22 ' HG3' ' A' ' 41' ' ' LYS . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD2' HG22 ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.74 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 83' ' ' VAL . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.2 p-80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.74 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.412 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 90' ' ' GLU . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' HG22 ' A' ' 97' ' ' VAL . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.606 HE22 ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.606 ' NH1' HE22 ' A' ' 98' ' ' GLN . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.825 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.55 ' HG3' HD13 ' A' ' 118' ' ' LEU . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.646 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.646 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 120' ' ' LEU . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 6.4 tp-100 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 118' ' ' LEU . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.5 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.405 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.437 -1.108 0 N-CA-C 115.046 1.498 . . . . 10.0 115.046 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.413 ' OE1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.755 ' OG1' HD12 ' A' ' 42' ' ' ILE . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HB3' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 78' ' ' LEU . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.69 ' HG3' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.73 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.755 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 44' ' ' VAL 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.428 ' HG2' ' HG ' ' A' ' 78' ' ' LEU . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' CG2' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.84 HG11 ' HD1' ' A' ' 89' ' ' TRP . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 73' ' ' GLU . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.666 HG12 HG13 ' A' ' 67' ' ' VAL . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.84 ' HD1' HG11 ' A' ' 67' ' ' VAL . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 95' ' ' VAL . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.497 ' H ' HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG23 ' HG3' ' A' ' 90' ' ' GLU 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.537 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.537 HD11 ' CB ' ' A' ' 107' ' ' TRP . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.657 HD22 ' SG ' ' A' ' 122' ' ' CYS . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.657 ' SG ' HD22 ' A' ' 120' ' ' LEU . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.754 ' OE1' HD22 ' A' ' 94' ' ' LEU . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.843 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 40' ' ' THR . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 24' ' ' LEU 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.7 HG12 HG21 ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.7 HG21 HG12 ' A' ' 26' ' ' ILE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.627 HG22 HD23 ' A' ' 37' ' ' LEU . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 12' ' ' GLU . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.563 ' H ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.843 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 8.4 t30 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.479 ' OG1' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 87' ' ' VAL . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 61' ' ' TYR . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.421 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' OE1' ' A' ' 98' ' ' GLN . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.571 HG12 HG13 ' A' ' 67' ' ' VAL . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.754 HD22 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 108' ' ' LYS . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 87' ' ' VAL . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' A' ' 83' ' ' VAL . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 122' ' ' CYS . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.537 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.746 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.739 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.54 ' H ' HD12 ' A' ' 116' ' ' LEU . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 111' ' ' VAL . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.537 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.746 HD11 ' CB ' ' A' ' 107' ' ' TRP . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' SG ' ' A' ' 122' ' ' CYS . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.67 ' SG ' HD12 ' A' ' 120' ' ' LEU . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 126' ' ' VAL . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.513 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 6.5 tp-100 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.499 -1.013 0 N-CA-C 117.309 2.337 . . . . 10.0 117.309 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.452 ' NE2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.59 ' OG1' HD12 ' A' ' 42' ' ' ILE . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.565 ' CE2' HD11 ' A' ' 120' ' ' LEU . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 78' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 37' ' ' LEU . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 36' ' ' ARG . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.448 ' N ' ' CG2' ' A' ' 40' ' ' THR . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.59 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.424 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.433 ' C ' ' HB2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.605 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 56' ' ' SER . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.417 ' HG2' ' C ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 87' ' ' VAL . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 48' ' ' ASP . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HD2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.43 HG23 ' SG ' ' A' ' 96' ' ' CYS . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 94' ' ' LEU . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.421 ' CD1' HG11 ' A' ' 67' ' ' VAL . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 p30 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' VAL . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' HG22 ' A' ' 97' ' ' VAL . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.434 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HB2' ' HD2' ' A' ' 84' ' ' LYS . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 120' ' ' LEU . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.881 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.904 ' CG ' HD13 ' A' ' 118' ' ' LEU . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.595 ' C ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.595 HG23 ' C ' ' A' ' 110' ' ' TRP . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.904 HD13 ' CG ' ' A' ' 109' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.24 0.561 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.72 ' OG1' HD12 ' A' ' 42' ' ' ILE . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' OG1' ' A' ' 30' ' ' THR . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 26' ' ' ILE . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.674 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.828 HD12 ' CG ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 37' ' ' LEU . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.72 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.576 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.592 ' HB2' HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 67' ' ' VAL . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.463 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' HG13 ' A' ' 87' ' ' VAL 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.792 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.664 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.486 ' C ' HG23 ' A' ' 111' ' ' VAL . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 116' ' ' LEU . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.792 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.52 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 116' ' ' LEU . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.503 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 123.629 1.681 . . . . 10.0 112.379 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 22.4 mm-40 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.741 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.846 ' HB ' HD12 ' A' ' 24' ' ' LEU . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' C ' HG22 ' A' ' 42' ' ' ILE 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ASP . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' C ' ' HG1' ' A' ' 57' ' ' THR . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 56' ' ' SER . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CG ' ' N ' ' A' ' 66' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 67' ' ' VAL . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 69' ' ' VAL 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 86' ' ' LEU . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.538 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.538 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 94' ' ' LEU . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.439 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 93' ' ' THR . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.468 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 84' ' ' LYS . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.81 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.718 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.43 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.741 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.81 HD11 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' NE2' ' A' ' 129' ' ' GLN . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 118' ' ' LEU . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt . . . . . 0 CA--C 1.509 -0.614 0 N-CA-C 114.857 1.428 . . . . 10.0 114.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.931 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.536 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 78' ' ' LEU 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' THR . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD2' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.549 HG21 HD13 ' A' ' 26' ' ' ILE . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 31' ' ' ARG . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.451 ' C ' HG22 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.931 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.1 t30 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.541 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' OG1' ' A' ' 66' ' ' THR . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.575 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 96' ' ' CYS . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HD23 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' A' ' 108' ' ' LYS . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.616 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.616 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 83' ' ' VAL . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.823 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.605 ' HG2' HG22 ' A' ' 95' ' ' VAL . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.706 ' CB ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.691 ' HB3' HG23 ' A' ' 93' ' ' THR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' A' ' 109' ' ' GLN . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.823 HD11 ' CB ' ' A' ' 107' ' ' TRP . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.891 HG22 HG13 ' A' ' 126' ' ' VAL . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.891 HG13 HG22 ' A' ' 121' ' ' THR . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt . . . . . 0 CA--C 1.511 -0.536 0 N-CA-C 114.583 1.327 . . . . 10.0 114.583 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.675 ' OG1' HD12 ' A' ' 42' ' ' ILE . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.724 ' CE3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 1.053 HG21 HG21 ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 1.053 HG21 HG21 ' A' ' 26' ' ' ILE . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 40' ' ' THR . 2.7 mm100 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.745 ' H ' ' NE2' ' A' ' 39' ' ' GLN . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.412 ' C ' HG22 ' A' ' 42' ' ' ILE . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.675 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.738 HD11 ' OE1' ' A' ' 109' ' ' GLN 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.565 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.534 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.459 ' O ' HD12 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' NE2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HE3' ' HA2' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 86' ' ' LEU . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.629 HD12 ' SG ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 ' HD3' ' A' ' 108' ' ' LYS 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' HD12 ' A' ' 94' ' ' LEU . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 106' ' ' GLY . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.55 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' A' ' 84' ' ' LYS . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.571 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.889 ' HB3' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' A' ' 95' ' ' VAL . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.738 ' OE1' HD11 ' A' ' 43' ' ' ILE . 14.5 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.723 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.724 HD12 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.494 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 107' ' ' TRP . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 126' ' ' VAL . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 121' ' ' THR . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.739 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.438 -1.048 0 N-CA-C 118.809 2.892 . . . . 10.0 118.809 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 44' ' ' VAL . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.727 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.931 ' HG2' HG23 ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 78' ' ' LEU 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.578 HG21 ' OG1' ' A' ' 30' ' ' THR . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 33' ' ' ILE . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' HG21 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.791 HD13 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.402 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.931 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.791 ' CD1' HD13 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.567 ' HB2' HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.485 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 94' ' ' LEU . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 87' ' ' VAL 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 108' ' ' LYS . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.625 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.645 ' HG2' HG22 ' A' ' 95' ' ' VAL . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.574 ' HB3' HD13 ' A' ' 118' ' ' LEU . 2.8 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.453 ' HA ' ' HG3' ' A' ' 133' ' ' LYS . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.599 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.412 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt . . . . . 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.537 HG21 ' HE3' ' A' ' 133' ' ' LYS . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' ILE 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.72 ' CD1' HD23 ' A' ' 78' ' ' LEU . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 HG21 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 44' ' ' VAL 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.494 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 78' ' ' LEU . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.459 ' H ' HG22 ' A' ' 93' ' ' THR . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 95' ' ' VAL . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.485 ' C ' HG22 ' A' ' 97' ' ' VAL . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.726 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.721 ' HG2' HD11 ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 107' ' ' TRP . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.511 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 11.6 tp-100 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.479 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.547 ' HB ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.641 ' CD1' ' HE2' ' A' ' 41' ' ' LYS 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 40' ' ' THR 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.484 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.502 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 HG21 ' A' ' 30' ' ' THR . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG21 ' A' ' 26' ' ' ILE . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.76 HG22 ' CD2' ' A' ' 17' ' ' PHE . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.43 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 11.6 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.641 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 44' ' ' VAL 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 67' ' ' VAL . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.431 HG22 HE21 ' A' ' 39' ' ' GLN . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 66' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.461 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' N ' ' A' ' 96' ' ' CYS . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.615 ' HE1' HG11 ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.516 ' C ' HG23 ' A' ' 87' ' ' VAL . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.678 ' N ' HG23 ' A' ' 87' ' ' VAL . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.459 HG13 ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.679 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.941 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.549 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 107' ' ' TRP . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 106' ' ' GLY . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 120' ' ' LEU 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.606 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.9 0 N-CA-C 117.169 2.285 . . . . 10.0 117.169 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.505 ' OE1' HD13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.655 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.763 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.481 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.662 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 120' ' ' LEU . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 23' ' ' ALA 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 26' ' ' ILE . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.685 HD13 ' C ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.763 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.532 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.532 ' N ' HG12 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 87' ' ' VAL 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.692 ' CB ' HG23 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.926 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 118' ' ' LEU . 3.1 tt0 -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.546 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 107' ' ' TRP . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.1 OUTLIER -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 129' ' ' GLN 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.495 -1.147 0 N-CA-C 114.943 1.46 . . . . 10.0 114.943 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.838 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 40' ' ' THR . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' THR . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.576 ' ND2' HE21 ' A' ' 129' ' ' GLN . 2.0 m120 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.558 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 79' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.493 HG22 ' NH1' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.562 ' HG3' ' HG3' ' A' ' 21' ' ' MET . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.529 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 10' ' ' GLU . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.402 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.838 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 48' ' ' ASP . 1.1 p30 -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 30' ' ' THR . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CD2' HG22 ' A' ' 85' ' ' THR . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.474 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' ILE . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.597 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.622 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 108' ' ' LYS . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.477 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.477 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.435 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.661 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.595 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.716 ' HB2' HD11 ' A' ' 118' ' ' LEU 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.78 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.702 ' HB3' HG23 ' A' ' 93' ' ' THR . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 109' ' ' GLN . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.44 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HB3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.568 0 CA-C-O 119.24 -0.41 . . . . 10.0 111.812 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.437 ' CD ' HD22 ' A' ' 94' ' ' LEU . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' ' OH ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 127' ' ' CYS . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.417 ' OH ' ' ND2' ' A' ' 14' ' ' ASN . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.909 ' CG1' HG21 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.778 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.909 HG21 ' CG1' ' A' ' 26' ' ' ILE . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 31' ' ' ARG . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.506 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 55' ' ' ASN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 42' ' ' ILE . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.467 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.562 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.495 ' HB2' ' ND2' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 66' ' ' THR . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 3.7 m-80 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.56 HD13 ' OE2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.628 ' CE2' HG22 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' OE2' HD13 ' A' ' 63' ' ' LEU . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.71 HG12 ' HA3' ' A' ' 100' ' ' GLY . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HG11 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.829 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.608 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.608 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.515 ' CD ' HG11 ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.71 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.903 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.829 ' HB3' HG23 ' A' ' 93' ' ' THR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.593 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 8' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.177 0 N-CA-C 113.821 1.045 . . . . 10.0 113.821 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.491 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 79' ' ' ASP . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.405 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 44' ' ' VAL 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.746 ' O ' HG12 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.544 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.524 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 61' ' ' TYR . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 26' ' ' ILE . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 ' HA3' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.524 ' CD1' HG11 ' A' ' 67' ' ' VAL . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 106' ' ' GLY . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.499 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.771 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.847 ' HG3' HD13 ' A' ' 118' ' ' LEU . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.842 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.597 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.847 HD13 ' HG3' ' A' ' 109' ' ' GLN . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' A' ' 118' ' ' LEU . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.599 ' OE1' HD13 ' A' ' 43' ' ' ILE . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.527 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.651 ' CD1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t30 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HG3' HD22 ' A' ' 37' ' ' LEU . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.599 HD13 ' OE1' ' A' ' 5' ' ' GLN 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.565 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 78' ' ' LEU . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' CE2' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 69' ' ' VAL . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.598 HD11 ' HB2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.713 HG21 ' NE2' ' A' ' 98' ' ' GLN . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 94' ' ' LEU . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 95' ' ' VAL . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.713 ' NE2' HG21 ' A' ' 83' ' ' VAL 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.497 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.71 ' NE2' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.49 ' C ' HG23 ' A' ' 111' ' ' VAL 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 110' ' ' TRP . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.402 ' HA ' ' H ' ' A' ' 133' ' ' LYS . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.487 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.71 HD13 ' NE2' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 120' ' ' LEU . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.603 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.402 ' H ' ' HA ' ' A' ' 114' ' ' ASP . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HE2' ' CA ' ' A' ' 92' ' ' ASN . 2.3 mmtm . . . . . 0 N--CA 1.444 -0.772 0 N-CA-C 116.628 2.085 . . . . 10.0 116.628 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.769 ' OG1' HD12 ' A' ' 42' ' ' ILE . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.713 ' HZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.788 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.465 ' CD1' ' C ' ' A' ' 20' ' ' TYR . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' MET . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.546 HD23 HD12 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.546 HD12 HD23 ' A' ' 24' ' ' LEU . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 26' ' ' ILE . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.682 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.411 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.788 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.553 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HG2' ' N ' ' A' ' 42' ' ' ILE . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.769 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.713 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.584 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.502 ' HB2' HG13 ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 t30 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' NZ ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CE2' ' A' ' 65' ' ' PHE . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 96' ' ' CYS . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 87' ' ' VAL . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.547 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' H ' ' HB ' ' A' ' 93' ' ' THR . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 87' ' ' VAL . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.417 HE22 ' NH2' ' A' ' 105' ' ' ARG . 6.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.467 ' NZ ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 122' ' ' CYS . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.601 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 10.9 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.601 HD11 ' CB ' ' A' ' 107' ' ' TRP . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 105' ' ' ARG . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.615 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt . . . . . 0 CA--C 1.517 -0.321 0 N-CA-C 114.458 1.281 . . . . 10.0 114.458 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.591 ' OG1' HD12 ' A' ' 42' ' ' ILE . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.915 ' HG2' HG23 ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.731 ' CD1' HG22 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' ' 23' ' ' ALA 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 26' ' ' ILE . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.848 HD13 ' CD1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 11' ' ' MET . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.915 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.591 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.751 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.544 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.577 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.504 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.848 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.539 ' OH ' HG22 ' A' ' 75' ' ' THR . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 48' ' ' ASP . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' VAL . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.656 ' CG ' HD12 ' A' ' 86' ' ' LEU . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.738 HG21 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.738 ' CZ ' HG21 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.652 HG21 ' OE1' ' A' ' 98' ' ' GLN . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 70' ' ' GLU . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 96' ' ' CYS . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.567 ' HB2' HG22 ' A' ' 87' ' ' VAL . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.547 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.652 ' OE1' HG21 ' A' ' 83' ' ' VAL . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 83' ' ' VAL 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.691 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.539 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 109' ' ' GLN . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.624 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.624 HD13 ' SG ' ' A' ' 122' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 120' ' ' LEU . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 120' ' ' LEU . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.486 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD3' ' HE3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.435 -1.189 0 CA-C-O 117.397 -1.287 . . . . 10.0 112.348 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 94' ' ' LEU . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.584 ' OG1' HD12 ' A' ' 42' ' ' ILE . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.779 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG3' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' A' ' 130' ' ' VAL . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 127' ' ' CYS . 2.0 m-20 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.608 ' HE2' HD22 ' A' ' 24' ' ' LEU . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.714 HD12 ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' THR . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 26' ' ' ILE . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.897 HD12 ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.7 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 41' ' ' LYS . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' A' ' 42' ' ' ILE 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.584 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.779 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 66' ' ' THR . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 67' ' ' VAL 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 78' ' ' LEU . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 50' ' ' PHE . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.42 HD22 HD21 ' A' ' 24' ' ' LEU . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.714 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 70' ' ' GLU . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.506 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 87' ' ' VAL 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.522 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.522 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.739 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 1.012 ' HG2' HD13 ' A' ' 118' ' ' LEU . 62.0 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 1.012 HD13 ' HG2' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.493 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.596 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 12' ' ' GLU . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.518 ' HG2' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.518 ' HD2' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.529 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.621 0 N-CA-C 117.596 2.443 . . . . 10.0 117.596 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.815 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.538 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 122' ' ' CYS . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.935 ' CG1' HG21 ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.935 HG21 ' CG1' ' A' ' 26' ' ' ILE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.579 ' HB3' HD22 ' A' ' 37' ' ' LEU . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.815 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.541 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 69' ' ' VAL 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.407 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 t30 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' HG23 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG1' HG13 ' A' ' 67' ' ' VAL . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.529 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.588 HG22 ' HD3' ' A' ' 108' ' ' LYS . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.489 ' C ' HG22 ' A' ' 97' ' ' VAL . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.518 ' HA ' HG12 ' A' ' 97' ' ' VAL . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.873 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.691 ' HG3' HD13 ' A' ' 118' ' ' LEU 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CB ' HG23 ' A' ' 93' ' ' THR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.873 HD11 ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.489 ' HG ' ' HG2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' ' ' ALA 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 127' ' ' CYS . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.433 ' N ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.489 ' HG2' ' HG ' ' A' ' 120' ' ' LEU . 89.1 mm-40 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.812 ' CE1' HD23 ' A' ' 118' ' ' LEU . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.238 0.487 0 N-CA-C 115.677 1.732 . . . . 10.0 115.677 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.9 m-20 -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.412 ' CE2' ' NE2' ' A' ' 129' ' ' GLN . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.562 HG23 ' HB ' ' A' ' 30' ' ' THR . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CE1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 26' ' ' ILE . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HA ' HG23 ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.697 HD12 ' H ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CE ' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE3' ' CD1' ' A' ' 9' ' ' TRP 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.553 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 44' ' ' VAL . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' THR . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.587 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD21 ' HG3' ' A' ' 59' ' ' ARG . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' CG ' ' A' ' 72' ' ' ASP . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.506 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 106' ' ' GLY . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 83' ' ' VAL . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.764 ' HB2' HD13 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.515 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . 0.416 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' A' ' 109' ' ' GLN . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.464 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 120' ' ' LEU . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 116' ' ' LEU . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.435 -1.192 0 CA-C-O 122.171 0.986 . . . . 10.0 113.115 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.553 ' HG3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.527 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 35' ' ' VAL . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 120' ' ' LEU . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 24' ' ' LEU 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 67' ' ' VAL . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.755 ' HB3' HD12 ' A' ' 86' ' ' LEU 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.7 p-80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.64 HG23 HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.64 HG21 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.597 HG22 ' CE2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 65' ' ' PHE . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 103' ' ' GLU . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.412 ' H ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.415 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.995 ' HG2' HD13 ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.735 ' CB ' HG23 ' A' ' 93' ' ' THR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' A' ' 116' ' ' LEU . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.995 HD13 ' HG2' ' A' ' 109' ' ' GLN . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.415 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.652 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.527 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 43' ' ' ILE . 2.8 mm100 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.656 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.616 ' HE1' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.612 ' C ' HD23 ' A' ' 24' ' ' LEU . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.616 ' HB ' ' HE1' ' A' ' 21' ' ' MET . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.628 HD13 ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 ' HG2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HG2' HD13 ' A' ' 37' ' ' LEU . 21.6 mm100 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.656 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' LYS . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.542 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 69' ' ' VAL . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.481 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.622 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.515 ' C ' HG22 ' A' ' 97' ' ' VAL . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' HB ' ' A' ' 83' ' ' VAL . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.501 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 107' ' ' TRP . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' THR . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 120' ' ' LEU . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.547 ' C ' HG23 ' A' ' 126' ' ' VAL . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.547 HG23 ' C ' ' A' ' 125' ' ' GLN . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.619 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' TRP 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.903 0 N-CA-C 117.802 2.519 . . . . 10.0 117.802 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 94' ' ' LEU . 68.7 mm-40 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' TRP . . . . . 0.676 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 40' ' ' THR 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 1.044 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 22' ' ' LYS . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.811 HD12 HG12 ' A' ' 26' ' ' ILE 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.811 HG12 HD12 ' A' ' 24' ' ' LEU . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.752 HG21 HG13 ' A' ' 26' ' ' ILE . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.044 HG22 ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' HG2' ' A' ' 10' ' ' GLU . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.519 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' HB2' HD12 ' A' ' 78' ' ' LEU 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 87' ' ' VAL . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 69' ' ' VAL 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . 0.503 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 2.8 t-160 -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 83' ' ' VAL 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD13 ' A' ' 26' ' ' ILE . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA3' ' OG1' ' A' ' 75' ' ' THR . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.746 HG23 ' SG ' ' A' ' 96' ' ' CYS . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 96' ' ' CYS . . . . . 0.746 ' SG ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.62 ' HG2' ' N ' ' A' ' 99' ' ' LYS 0.39 10.7 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.706 ' C ' ' HD3' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.863 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.863 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' TRP . . . . . 0.885 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.635 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' TRP . . . . . 0.586 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.885 HD11 ' CB ' ' A' ' 107' ' ' TRP . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' GLN . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' VAL . . . . . 0.615 HG23 ' C ' ' A' ' 125' ' ' GLN . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.661 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 116' ' ' LEU 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.4 mtm . . . . . 0 N--CA 1.511 2.584 0 N-CA-C 106.787 -1.56 . . . . 10.0 106.787 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m -90.18 44.62 1.21 Allowed 'General case' 0 CA--C 1.497 -1.065 0 O-C-N 120.852 -1.155 . . . . 10.0 111.794 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.442 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -141.23 -42.94 0.37 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 115.625 1.713 . . . . 10.0 115.625 179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 46.91 72.47 0.24 Allowed 'General case' 0 N--CA 1.48 1.057 0 O-C-N 125.99 2.056 . . . . 10.0 107.757 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.463 HE22 HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -64.13 -55.5 21.46 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 105.867 -1.901 . . . . 10.0 105.867 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -31.53 85.08 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.801 0 O-C-N 125.681 1.863 . . . . 10.0 115.096 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.65 174.54 24.77 Favored Glycine 0 C--O 1.202 -1.88 0 CA-C-N 110.761 -2.927 . . . . 10.0 114.348 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.575 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 47.5 m -115.15 148.2 39.32 Favored 'General case' 0 N--CA 1.477 0.924 1 O-C-N 135.634 7.314 . . . . 10.0 104.992 -179.559 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.575 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -167.7 79.95 0.18 Allowed 'General case' 0 CA--C 1.493 -1.234 0 O-C-N 128.291 3.494 . . . . 10.0 114.56 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.85 96.49 0.01 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 O-C-N 125.139 1.524 . . . . 10.0 108.734 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -41.48 135.0 2.19 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 128.043 3.34 . . . . 10.0 107.554 179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.508 ' OE2' HG11 ' A' ' 130' ' ' VAL . 0.1 OUTLIER -92.95 -61.08 1.65 Allowed 'General case' 0 C--N 1.315 -0.912 1 O-C-N 129.209 4.068 . . . . 10.0 105.944 179.746 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.282 0.0 OUTLIER 162.13 167.65 0.02 OUTLIER 'General case' 0 N--CA 1.434 -1.225 0 CA-C-O 126.227 2.918 . . . . 10.0 112.719 179.849 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.689 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -94.37 158.2 15.68 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 110.141 -3.209 . . . . 10.0 110.96 179.632 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -92.57 -64.67 1.07 Allowed 'General case' 0 CA--C 1.485 -1.521 1 O-C-N 132.277 5.985 . . . . 10.0 109.393 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.6 m-20 -78.07 79.41 4.53 Favored 'General case' 0 C--O 1.203 -1.349 0 C-N-CA 117.297 -1.761 . . . . 10.0 109.216 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.716 ' CD1' HG22 ' A' ' 35' ' ' VAL . 1.4 m-85 -51.0 -40.42 58.04 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 110.662 -2.972 . . . . 10.0 112.983 -179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 19' ' ' GLY 0.307 17.0 pt-20 -76.38 -27.1 56.26 Favored 'General case' 0 N--CA 1.43 -1.425 0 N-CA-C 118.086 2.624 . . . . 10.0 118.086 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' N ' ' HG3' ' A' ' 18' ' ' GLU . . . -78.75 -29.49 51.78 Favored Glycine 0 CA--C 1.5 -0.899 0 O-C-N 128.047 3.342 . . . . 10.0 111.189 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.721 ' HE2' H181 ' A' ' 135' ' ' RTL . 8.6 t80 -77.06 -20.26 56.05 Favored 'General case' 0 C--O 1.207 -1.167 0 CA-C-O 124.204 1.954 . . . . 10.0 109.354 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 5.4 tmm? -68.98 -35.56 76.86 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 113.919 -1.491 . . . . 10.0 111.556 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -72.32 -22.0 61.25 Favored 'General case' 0 N--CA 1.475 0.806 2 O-C-N 132.266 5.978 . . . . 10.0 115.591 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.91 -21.02 66.28 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 111.259 -2.7 . . . . 10.0 112.704 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.558 HD12 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -172.64 87.47 0.07 Allowed 'General case' 0 N--CA 1.476 0.871 1 O-C-N 130.267 4.729 . . . . 10.0 107.274 179.748 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -56.85 86.54 0.01 OUTLIER 'General case' 0 C--O 1.2 -1.55 0 CA-C-N 108.718 -3.855 . . . . 10.0 112.941 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.558 HD11 HD12 ' A' ' 24' ' ' LEU . 38.4 mm -75.22 -61.31 1.75 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.102 1 CA-C-O 129.835 4.635 . . . . 10.0 109.584 179.694 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.1 t0 179.31 172.96 0.85 Allowed 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 109.625 -3.443 . . . . 10.0 109.476 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.477 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.7 OUTLIER -75.0 -24.06 58.35 Favored 'General case' 0 CA--C 1.491 -1.3 0 N-CA-C 113.375 0.88 . . . . 10.0 113.375 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.62 -30.12 61.54 Favored 'General case' 0 CA--C 1.497 -1.086 0 CA-C-O 123.285 1.516 . . . . 10.0 111.86 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.528 HG21 HG13 ' A' ' 26' ' ' ILE . 3.1 m -52.78 -51.78 59.3 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 117.517 2.414 . . . . 10.0 117.517 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.753 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -71.78 -30.56 65.69 Favored 'General case' 0 C--N 1.323 -0.554 1 O-C-N 129.91 4.506 . . . . 10.0 112.477 179.655 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -80.01 -24.7 40.65 Favored 'General case' 0 C--O 1.204 -1.342 0 O-C-N 128.052 3.345 . . . . 10.0 111.274 179.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.442 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -75.87 -50.29 23.58 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.123 0 CA-C-N 111.105 -2.771 . . . . 10.0 109.854 -179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.24 -23.41 66.41 Favored 'General case' 0 C--N 1.353 0.754 0 CA-C-O 123.056 1.408 . . . . 10.0 113.448 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.753 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -53.67 -42.0 49.31 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 N-CA-C 114.641 1.348 . . . . 10.0 114.641 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' NE ' ' CE ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -104.81 -21.23 13.38 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.337 3.523 . . . . 10.0 114.761 -179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.94 112.1 4.14 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 115.92 -1.99 . . . . 10.0 111.575 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.2 p -94.64 64.39 3.0 Favored 'General case' 0 N--CA 1.487 1.406 1 O-C-N 133.122 6.514 . . . . 10.0 109.652 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' MET . 9.3 pt20 -68.9 170.34 9.87 Favored 'General case' 0 C--O 1.208 -1.082 0 N-CA-C 116.051 1.871 . . . . 10.0 116.051 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.4 m -107.6 146.69 31.62 Favored 'General case' 0 N--CA 1.43 -1.451 1 O-C-N 130.857 5.098 . . . . 10.0 112.778 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . 0.265 34.7 ttpt -152.16 161.13 43.09 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 130.466 4.854 . . . . 10.0 106.995 -179.737 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.0 tt -170.66 104.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.059 0 CA-C-O 125.727 2.68 . . . . 10.0 112.873 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.561 HG22 ' N ' ' A' ' 44' ' ' VAL 0.275 25.5 mt -81.56 166.27 2.41 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.193 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.064 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' N ' HG22 ' A' ' 43' ' ' ILE . 5.9 p -170.71 99.77 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.072 0 O-C-N 127.207 2.817 . . . . 10.0 114.287 -179.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.561 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 1.6 pp0? -106.13 145.45 31.46 Favored 'General case' 0 C--O 1.209 -1.065 0 N-CA-C 116.766 2.135 . . . . 10.0 116.766 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -116.4 -0.97 12.38 Favored 'General case' 0 CA--C 1.486 -1.487 1 O-C-N 130.081 4.613 . . . . 10.0 114.123 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 102.25 2.62 Favored Glycine 0 C--O 1.211 -1.333 0 CA-C-N 113.797 -1.547 . . . . 10.0 112.627 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 5.3 t70 76.7 7.5 3.24 Favored 'General case' 0 CA--C 1.508 -0.672 0 O-C-N 127.226 2.368 . . . . 10.0 113.156 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -161.42 101.99 1.21 Allowed 'General case' 0 C--O 1.224 -0.254 0 O-C-N 128.885 3.866 . . . . 10.0 113.765 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 3.6 p90 -129.72 166.5 19.71 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 125.825 1.953 . . . . 10.0 116.078 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.508 ' HE2' ' HG3' ' A' ' 53' ' ' LYS . 7.5 tmtt? -162.57 147.1 11.95 Favored 'General case' 0 C--O 1.197 -1.702 0 O-C-N 127.453 2.971 . . . . 10.0 112.059 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.448 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.252 5.6 t -151.68 158.2 43.11 Favored 'General case' 0 CA--C 1.496 -1.129 0 O-C-N 127.995 3.309 . . . . 10.0 112.884 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HG3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -148.84 150.74 33.53 Favored 'General case' 0 N--CA 1.482 1.15 0 O-C-N 125.259 1.6 . . . . 10.0 107.64 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -92.65 154.51 18.32 Favored 'General case' 0 CA--C 1.505 -0.769 1 O-C-N 130.06 4.6 . . . . 10.0 109.983 179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -131.07 80.46 1.94 Allowed 'General case' 0 C--O 1.212 -0.912 0 N-CA-C 115.914 1.82 . . . . 10.0 115.914 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.43 165.43 12.99 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 127.844 3.215 . . . . 10.0 109.698 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 24.6 p -85.14 -53.46 5.25 Favored 'General case' 0 N--CA 1.477 0.904 1 O-C-N 130.024 4.577 . . . . 10.0 105.688 -179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE1' HG12 ' A' ' 33' ' ' ILE . 3.2 t80 -48.12 -59.38 3.44 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-O 126.028 2.823 . . . . 10.0 114.293 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 -149.49 147.87 28.73 Favored 'General case' 0 C--N 1.351 0.663 0 CA-C-N 110.229 -3.169 . . . . 10.0 113.518 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -104.26 133.7 48.74 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 129.167 4.042 . . . . 10.0 106.372 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CB ' H171 ' A' ' 135' ' ' RTL . 90.0 t80 -146.73 164.69 31.94 Favored 'General case' 0 CA--C 1.506 -0.716 0 O-C-N 127.478 2.986 . . . . 10.0 111.052 -179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -157.99 151.43 23.45 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 113.283 -1.78 . . . . 10.0 114.796 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -98.91 -51.77 3.77 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-O 115.671 -2.109 . . . . 10.0 111.454 179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.5 t0 32.09 79.4 0.03 OUTLIER 'General case' 0 CA--C 1.491 -1.327 1 O-C-N 129.716 4.385 . . . . 10.0 112.441 -179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.584 ' CE2' HG23 ' A' ' 85' ' ' THR . 38.3 t80 -140.53 147.15 39.07 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 126.724 3.154 . . . . 10.0 107.788 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.75 -169.88 0.09 Allowed 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 113.137 -1.847 . . . . 10.0 109.037 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.517 HG11 ' CD1' ' A' ' 89' ' ' TRP . 3.5 t -113.46 78.45 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 O-C-N 127.177 2.798 . . . . 10.0 114.308 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 104.13 -6.08 46.47 Favored Glycine 0 C--O 1.209 -1.408 0 O-C-N 126.578 2.424 . . . . 10.0 117.144 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 90.3 t -97.99 85.61 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.543 0 N-CA-C 104.204 -2.517 . . . . 10.0 104.204 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -31.46 139.03 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.458 2 O-C-N 134.155 7.16 . . . . 10.0 112.37 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.82 136.03 15.72 Favored 'General case' 0 N--CA 1.44 -0.954 0 O-C-N 128.485 3.616 . . . . 10.0 117.703 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -80.4 93.3 5.96 Favored 'General case' 0 CA--C 1.487 -1.467 0 O-C-N 119.497 -2.002 . . . . 10.0 111.931 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -84.39 -174.68 5.41 Favored 'General case' 0 C--O 1.207 -1.165 1 CA-C-O 129.757 4.599 . . . . 10.0 109.126 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.2 OUTLIER -148.51 148.65 30.47 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 108.643 -3.89 . . . . 10.0 110.438 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 24.7 p -101.72 23.41 11.33 Favored 'General case' 0 C--O 1.215 -0.744 0 CA-C-N 110.497 -3.047 . . . . 10.0 111.812 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.548 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 10.9 mttt -50.13 144.0 7.57 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.218 0.949 . . . . 10.0 111.861 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 102.53 -48.41 1.06 Allowed Glycine 0 C--O 1.227 -0.298 0 CA-C-N 113.034 -1.894 . . . . 10.0 111.538 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.452 HD11 H172 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -77.52 -75.54 0.21 Allowed 'General case' 0 C--O 1.228 -0.073 0 CA-C-N 110.541 -2.83 . . . . 10.0 115.41 179.584 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.519 ' HB3' ' CD1' ' A' ' 26' ' ' ILE . 1.3 p30 -113.97 -39.87 3.86 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-N 114.414 -1.267 . . . . 10.0 112.063 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.47 51.23 3.16 Favored Glycine 0 CA--C 1.503 -0.715 0 N-CA-C 118.221 2.049 . . . . 10.0 118.221 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.4 ' N ' ' OD1' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -116.54 164.31 14.78 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 109.927 -3.137 . . . . 10.0 109.62 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 142.32 29.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.027 3.329 . . . . 10.0 111.559 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.8 m -151.89 169.22 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.142 1 O-C-N 130.009 4.568 . . . . 10.0 115.21 179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.421 ' HD3' ' HB3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -134.95 161.54 34.97 Favored 'General case' 0 C--N 1.315 -0.895 0 O-C-N 129.027 3.955 . . . . 10.0 108.264 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.584 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.4 OUTLIER -150.95 170.48 19.23 Favored 'General case' 0 C--O 1.196 -1.739 0 O-C-N 128.948 3.905 . . . . 10.0 113.406 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.8 tt -160.33 129.25 4.9 Favored 'General case' 0 C--O 1.215 -0.737 2 O-C-N 131.689 5.618 . . . . 10.0 112.57 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.482 HG12 HG13 ' A' ' 67' ' ' VAL . 17.5 t -127.86 138.45 54.68 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.722 0 CA-C-O 125.845 2.736 . . . . 10.0 114.524 -179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.274 0.7 OUTLIER -145.4 127.46 15.59 Favored 'General case' 0 CA--C 1.482 -1.64 0 CA-C-N 112.375 -2.193 . . . . 10.0 108.406 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.517 ' CD1' HG11 ' A' ' 67' ' ' VAL . 43.2 m95 -60.94 139.98 57.87 Favored 'General case' 0 N--CA 1.433 -1.315 0 O-C-N 118.487 -2.633 . . . . 10.0 106.859 -179.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -144.93 61.44 1.31 Allowed 'General case' 0 C--O 1.196 -1.726 2 CA-C-O 131.913 5.625 . . . . 10.0 112.497 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 107.98 -106.98 2.47 Favored Glycine 0 CA--C 1.542 1.747 1 CA-C-N 107.342 -4.481 . . . . 10.0 103.829 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -103.15 -0.95 29.82 Favored 'General case' 0 C--O 1.199 -1.553 1 O-C-N 133.275 5.926 . . . . 10.0 106.489 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.697 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -93.4 -179.21 4.98 Favored 'General case' 0 C--N 1.352 0.68 0 C-N-CA 127.572 2.349 . . . . 10.0 112.018 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.32 57.16 0.18 Allowed 'General case' 0 CA--C 1.487 -1.456 0 O-C-N 128.918 3.886 . . . . 10.0 114.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.61 HG22 ' HE2' ' A' ' 108' ' ' LYS . 94.1 t -31.18 99.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.495 -1.144 0 CA-C-N 111.374 -2.648 . . . . 10.0 117.881 -179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.44 ' HB2' HG22 ' A' ' 87' ' ' VAL . 45.9 t -108.37 147.63 31.27 Favored 'General case' 0 C--O 1.203 -1.394 0 N-CA-C 103.101 -2.926 . . . . 10.0 103.101 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.413 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -155.79 112.5 0.23 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.767 2 O-C-N 130.777 5.048 . . . . 10.0 115.549 -179.603 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.416 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.6 OUTLIER -74.73 156.31 36.74 Favored 'General case' 0 C--N 1.361 1.107 0 O-C-N 117.031 -3.543 . . . . 10.0 114.041 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 0.1 OUTLIER -141.52 167.07 23.05 Favored 'General case' 0 C--O 1.21 -1.018 1 O-C-N 129.159 4.037 . . . . 10.0 111.489 -179.957 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.85 56.75 1.29 Allowed Glycine 0 C--O 1.21 -1.351 0 O-C-N 125.527 1.767 . . . . 10.0 111.274 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 95.53 -3.29 0.07 Allowed 'General case' 0 CA--C 1.499 -0.983 0 CA-C-N 108.523 -3.838 . . . . 10.0 110.623 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -86.75 -74.05 0.44 Allowed 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 124.919 2.295 . . . . 10.0 113.69 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.452 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 19.0 mt-10 60.41 8.03 1.5 Allowed 'General case' 0 N--CA 1.431 -1.396 0 N-CA-C 118.246 2.684 . . . . 10.0 118.246 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -160.77 34.07 0.15 Allowed 'General case' 0 N--CA 1.487 1.399 1 O-C-N 129.962 4.539 . . . . 10.0 108.965 -179.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.416 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 1.7 ttp85 -114.03 72.56 0.79 Allowed 'General case' 0 C--O 1.201 -1.482 0 O-C-N 126.101 2.126 . . . . 10.0 108.931 179.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -121.06 165.6 14.12 Favored Glycine 0 N--CA 1.432 -1.571 2 CA-C-N 105.973 -5.103 . . . . 10.0 114.758 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.628 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.264 0.0 OUTLIER -139.12 153.08 47.93 Favored 'General case' 0 C--O 1.199 -1.568 0 O-C-N 128.376 3.045 . . . . 10.0 118.228 -179.882 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.61 ' HE2' HG22 ' A' ' 95' ' ' VAL . 0.9 OUTLIER -122.04 65.01 0.92 Allowed 'General case' 0 N--CA 1.44 -0.96 2 O-C-N 131.852 5.72 . . . . 10.0 112.05 -179.795 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.608 ' CD ' HD13 ' A' ' 118' ' ' LEU . 1.5 tp60 -72.86 54.86 0.38 Allowed 'General case' 0 CA--C 1.507 -0.673 1 CA-C-N 108.307 -4.042 . . . . 10.0 109.505 179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.697 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -79.14 127.52 32.13 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 115.731 -2.388 . . . . 10.0 110.68 179.525 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 49.1 t -83.66 124.02 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.489 0 N-CA-C 120.369 3.47 . . . . 10.0 120.369 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -107.75 -26.59 10.73 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 125.114 2.388 . . . . 10.0 111.744 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 130.58 -114.97 1.71 Allowed Glycine 0 C--O 1.207 -1.54 0 C-N-CA 126.421 1.962 . . . . 10.0 111.188 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -54.84 -22.82 15.79 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 117.273 2.323 . . . . 10.0 117.273 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.6 156.2 37.84 Favored 'General case' 0 C--O 1.22 -0.473 0 O-C-N 128.099 3.374 . . . . 10.0 108.737 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 117' ' ' TYR . 5.9 tt -161.63 136.29 7.13 Favored 'General case' 0 CA--C 1.496 -1.116 0 O-C-N 128.104 3.377 . . . . 10.0 111.697 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.666 ' N ' HD23 ' A' ' 116' ' ' LEU . 2.6 m-85 -115.06 75.03 0.91 Allowed 'General case' 0 C--O 1.203 -1.344 1 O-C-N 129.191 4.057 . . . . 10.0 116.314 -179.772 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD23 ' HG3' ' A' ' 129' ' ' GLN . 11.7 tp -71.06 130.53 41.79 Favored 'General case' 0 N--CA 1.479 0.995 1 CA-C-N 107.828 -4.26 . . . . 10.0 106.411 179.743 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -110.33 99.37 8.41 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 126.807 2.567 . . . . 10.0 112.03 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.741 HD22 ' SG ' ' A' ' 122' ' ' CYS . 9.6 mt -83.66 93.55 7.92 Favored 'General case' 0 C--N 1.354 0.766 0 CA-C-O 118.226 -0.892 . . . . 10.0 113.144 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.556 ' HA ' HG13 ' A' ' 126' ' ' VAL . 8.8 p -53.79 -65.54 0.55 Allowed 'General case' 0 N--CA 1.489 1.486 0 O-C-N 129.007 3.942 . . . . 10.0 104.076 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.741 ' SG ' HD22 ' A' ' 120' ' ' LEU . 56.6 m 42.37 77.68 0.06 Allowed 'General case' 0 CA--C 1.488 -1.419 0 O-C-N 124.809 1.318 . . . . 10.0 112.127 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 71.25 173.48 16.19 Favored Glycine 0 CA--C 1.531 1.053 0 CA-C-O 123.651 1.695 . . . . 10.0 109.015 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -55.59 152.46 9.16 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-O 115.923 -1.989 . . . . 10.0 106.846 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 67.14 66.74 0.41 Allowed 'General case' 0 C--O 1.204 -1.342 1 O-C-N 131.971 5.794 . . . . 10.0 106.07 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.556 HG13 ' HA ' ' A' ' 121' ' ' THR . 83.4 t -48.02 138.16 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 CA-C-N 109.088 -3.687 . . . . 10.0 112.706 -179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -110.84 155.41 22.62 Favored 'General case' 0 C--O 1.222 -0.364 0 O-C-N 120.425 -1.422 . . . . 10.0 108.675 179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 17.9 ttm180 -113.84 107.71 16.09 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-N 112.081 -2.327 . . . . 10.0 112.366 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.76 ' HG3' HD23 ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.96 157.03 29.28 Favored 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 114.992 -2.683 . . . . 10.0 110.21 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.508 HG11 ' OE2' ' A' ' 12' ' ' GLU . 96.1 t -137.08 112.09 10.55 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.482 0 N-CA-C 103.495 -2.78 . . . . 10.0 103.495 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -109.42 161.56 15.19 Favored 'General case' 0 CA--C 1.478 -1.806 2 O-C-N 130.378 4.799 . . . . 10.0 111.797 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.373 0.0 OUTLIER 176.79 130.74 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.389 -3.196 . . . . 10.0 106.735 -179.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.472 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 5.1 tttp 153.12 -79.84 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.307 1 O-C-N 133.857 6.973 . . . . 10.0 116.547 179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.568 0 CA-C-O 114.398 -2.715 . . . . 10.0 113.58 -179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.756 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.43 0 N-CA-C 107.235 -1.395 . . . . 10.0 107.235 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 65.6 p 35.51 -92.07 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 0 O-C-N 128.357 3.535 . . . . 10.0 111.63 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 2.2 pttt -158.15 21.09 0.25 Allowed 'General case' 0 CA--C 1.507 -0.673 0 C-N-CA 114.621 -2.831 . . . . 10.0 113.404 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -58.51 102.93 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 104.318 -2.475 . . . . 10.0 104.318 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 43.5 mm-40 -65.55 -77.31 0.06 Allowed 'General case' 0 N--CA 1.486 1.363 0 CA-C-O 113.182 -3.294 . . . . 10.0 107.097 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 2.14 99.12 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.784 1 O-C-N 131.612 5.57 . . . . 10.0 112.349 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.29 -150.52 5.73 Favored Glycine 0 CA--C 1.524 0.619 0 CA-C-N 112.331 -2.213 . . . . 10.0 113.955 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.529 ' CG2' ' CE ' ' A' ' 133' ' ' LYS . 20.7 m -144.83 146.64 32.18 Favored 'General case' 0 N--CA 1.479 0.988 0 N-CA-C 102.936 -2.987 . . . . 10.0 102.936 179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.666 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.272 0.0 OUTLIER -151.65 66.45 0.87 Allowed 'General case' 0 CA--C 1.497 -1.091 1 O-C-N 130.177 4.673 . . . . 10.0 116.281 -178.758 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' HB2' ' HG3' ' A' ' 133' ' ' LYS . 0.2 OUTLIER -42.14 91.3 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 128.088 3.368 . . . . 10.0 108.831 179.594 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.2 mtm -49.62 142.02 8.85 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 127.988 2.515 . . . . 10.0 109.928 -179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -100.89 -68.71 0.8 Allowed 'General case' 0 C--O 1.211 -0.935 1 O-C-N 130.606 4.941 . . . . 10.0 108.139 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 171.08 169.17 0.08 Allowed 'General case' 0 C--N 1.359 1.019 0 C-N-CA 116.621 -2.031 . . . . 10.0 113.694 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.498 ' N ' HE22 ' A' ' 129' ' ' GLN . 0.0 OUTLIER -95.35 176.63 6.12 Favored 'General case' 0 C--O 1.202 -1.395 0 O-C-N 126.764 2.54 . . . . 10.0 115.479 -179.67 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -111.86 -45.99 3.28 Favored 'General case' 0 CA--C 1.502 -0.873 1 O-C-N 131.162 5.289 . . . . 10.0 111.018 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.49 ' CB ' ' HB3' ' A' ' 127' ' ' CYS . 6.9 t-20 -100.85 57.35 0.88 Allowed 'General case' 0 C--O 1.212 -0.871 0 O-C-N 119.155 -2.216 . . . . 10.0 112.707 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.491 ' CD1' HG22 ' A' ' 35' ' ' VAL . 5.1 m-85 -42.29 -39.29 2.07 Favored 'General case' 0 C--O 1.202 -1.401 0 CA-C-N 110.073 -3.239 . . . . 10.0 111.818 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.259 36.9 mt-10 -77.86 -34.92 51.49 Favored 'General case' 0 N--CA 1.441 -0.88 0 O-C-N 126.882 2.614 . . . . 10.0 115.552 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.08 -31.12 54.01 Favored Glycine 0 C--N 1.351 1.402 0 O-C-N 128.297 3.498 . . . . 10.0 109.423 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.471 ' OH ' H193 ' A' ' 135' ' ' RTL . 1.0 OUTLIER -77.4 -20.34 54.8 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 123.229 1.49 . . . . 10.0 109.453 -179.612 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -72.0 -26.01 62.06 Favored 'General case' 0 CA--C 1.488 -1.425 0 CA-C-N 114.095 -1.411 . . . . 10.0 113.252 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -73.7 -25.17 60.09 Favored 'General case' 0 C--O 1.208 -1.103 0 O-C-N 129.035 3.96 . . . . 10.0 112.2 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.547 ' HB2' ' SG ' ' A' ' 122' ' ' CYS . . . -71.9 -47.67 51.07 Favored 'General case' 0 C--N 1.313 -1.011 1 O-C-N 130.821 5.076 . . . . 10.0 113.685 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 ' HB3' ' HB ' ' A' ' 26' ' ' ILE 0.291 1.5 mt -81.74 -50.59 9.08 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 128.973 3.921 . . . . 10.0 107.378 -179.484 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 36.7 t70 62.85 29.71 16.61 Favored 'General case' 0 C--O 1.212 -0.897 0 CA-C-N 111.351 -2.659 . . . . 10.0 107.318 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.476 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 3.7 tt -61.99 -52.73 56.95 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 1 CA-C-N 108.077 -4.147 . . . . 10.0 112.923 -179.79 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 t70 162.71 158.85 0.02 OUTLIER 'General case' 0 C--O 1.239 0.536 0 CA-C-N 114.383 -1.28 . . . . 10.0 109.84 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.7 m-85 -64.87 -31.95 73.42 Favored 'General case' 0 CA--C 1.502 -0.883 0 N-CA-C 116.813 2.153 . . . . 10.0 116.813 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.55 -32.29 73.23 Favored 'General case' 0 C--O 1.21 -1.02 0 C-N-CA 124.748 1.219 . . . . 10.0 111.53 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.509 HG22 ' H41' ' A' ' 135' ' ' RTL . 1.5 m -60.41 -48.84 80.02 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 112.329 -2.214 . . . . 10.0 115.805 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.49 -28.48 52.19 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 127.217 2.823 . . . . 10.0 108.027 179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.8 OUTLIER -74.24 -27.89 60.98 Favored 'General case' 0 C--O 1.197 -1.671 0 O-C-N 127.308 2.88 . . . . 10.0 108.443 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.517 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -78.87 -45.46 24.7 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.577 0 O-C-N 127.17 2.794 . . . . 10.0 107.765 179.752 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -70.47 -21.98 62.72 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 126.954 3.264 . . . . 10.0 112.913 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.2 t -62.2 -33.42 58.67 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.574 0 N-CA-C 118.043 2.609 . . . . 10.0 118.043 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.451 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -125.62 -19.28 5.0 Favored 'General case' 0 N--CA 1.438 -1.042 0 O-C-N 125.996 2.06 . . . . 10.0 116.16 -178.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.937 HD22 ' N ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -80.29 157.43 26.42 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 127.483 2.989 . . . . 10.0 111.287 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.937 ' N ' HD22 ' A' ' 37' ' ' LEU . 23.2 p -119.46 90.1 3.26 Favored 'General case' 0 CA--C 1.491 -1.315 0 O-C-N 126.416 2.322 . . . . 10.0 116.084 -179.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.89 179.92 7.61 Favored 'General case' 0 CA--C 1.493 -1.245 0 CA-C-O 116.583 -1.675 . . . . 10.0 112.041 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.477 HG22 ' N ' ' A' ' 41' ' ' LYS . 5.7 m -122.59 157.88 31.16 Favored 'General case' 0 C--O 1.196 -1.74 1 O-C-N 131.827 5.704 . . . . 10.0 112.208 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 0.4 OUTLIER -167.33 155.8 9.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 127.164 2.79 . . . . 10.0 105.891 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -160.74 120.39 0.24 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.609 0 C-N-CA 114.091 -3.044 . . . . 10.0 111.519 179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.666 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 27.4 mt -88.17 168.24 1.59 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.205 0 CA-C-N 111.082 -2.781 . . . . 10.0 111.987 -179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' N ' HG22 ' A' ' 43' ' ' ILE . 12.9 p -164.1 51.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.204 -1.329 0 C-N-CA 114.501 -2.88 . . . . 10.0 114.659 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.558 ' HG2' ' HB3' ' A' ' 50' ' ' PHE . 57.5 mt-30 -40.58 146.46 0.14 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 125.077 2.37 . . . . 10.0 115.0 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -152.98 32.24 0.48 Allowed 'General case' 0 CA--C 1.491 -1.3 0 CA-C-N 108.438 -3.983 . . . . 10.0 112.689 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 129.84 -99.59 0.46 Allowed Glycine 0 N--CA 1.471 0.984 0 O-C-N 124.376 1.048 . . . . 10.0 113.342 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' O ' HG22 ' A' ' 66' ' ' THR . 0.1 OUTLIER -127.03 12.53 7.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 O-C-N 125.175 1.162 . . . . 10.0 112.525 179.834 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -140.0 90.82 2.41 Favored 'General case' 0 C--N 1.351 0.651 0 CA-C-O 115.398 -2.239 . . . . 10.0 112.564 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' HB3' ' HG2' ' A' ' 45' ' ' GLN . 27.6 p90 -119.13 151.6 38.02 Favored 'General case' 0 CA--C 1.484 -1.566 1 O-C-N 132.252 5.97 . . . . 10.0 114.819 -179.919 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HG2' ' N ' ' A' ' 52' ' ' THR . 0.0 OUTLIER -141.46 146.62 36.71 Favored 'General case' 0 CA--C 1.48 -1.718 0 O-C-N 126.952 2.658 . . . . 10.0 112.568 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.435 ' N ' ' HG2' ' A' ' 51' ' ' LYS 0.365 0.6 OUTLIER -142.38 150.38 40.62 Favored 'General case' 0 CA--C 1.505 -0.759 1 O-C-N 130.372 4.795 . . . . 10.0 111.077 -179.785 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.5 127.37 17.27 Favored 'General case' 0 CA--C 1.508 -0.655 0 O-C-N 126.846 2.591 . . . . 10.0 106.978 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.823 HG21 ' H10' ' A' ' 135' ' ' RTL . 3.2 p -77.2 158.2 30.46 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.548 1.78 . . . . 10.0 108.128 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -137.05 71.87 1.41 Allowed 'General case' 0 C--O 1.219 -0.529 0 N-CA-C 116.938 2.199 . . . . 10.0 116.938 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.0 t -99.78 166.85 10.9 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 128.716 3.76 . . . . 10.0 106.286 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 42.9 m -90.9 -10.29 43.07 Favored 'General case' 0 C--O 1.21 -0.975 0 O-C-N 128.976 3.923 . . . . 10.0 108.88 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.433 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.2 -66.96 0.87 Allowed 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 128.42 3.575 . . . . 10.0 117.026 -179.699 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.655 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -143.86 135.64 26.27 Favored 'General case' 0 CA--C 1.501 -0.917 0 C-N-CA 116.697 -2.001 . . . . 10.0 111.23 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -83.29 115.61 22.06 Favored 'General case' 0 C--O 1.207 -1.152 0 O-C-N 128.083 3.364 . . . . 10.0 108.84 179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.812 ' CD2' HD13 ' A' ' 78' ' ' LEU . 0.4 OUTLIER -121.53 121.39 37.38 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 112.583 -2.099 . . . . 10.0 108.024 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -119.73 93.37 4.04 Favored 'General case' 0 N--CA 1.484 1.253 0 O-C-N 127.643 3.089 . . . . 10.0 112.483 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 HD22 ' HE1' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -69.08 56.14 0.1 Allowed 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 116.078 1.881 . . . . 10.0 116.078 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -69.13 128.24 35.94 Favored 'General case' 0 CA--C 1.507 -0.692 0 N-CA-C 106.427 -1.694 . . . . 10.0 106.427 -179.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD2' HG22 ' A' ' 85' ' ' THR . 5.1 t80 177.83 139.23 0.08 Allowed 'General case' 0 CA--C 1.493 -1.249 0 CA-C-O 125.366 2.508 . . . . 10.0 110.325 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.484 ' N ' ' CD1' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -71.9 -179.96 2.93 Favored 'General case' 0 N--CA 1.475 0.794 0 CA-C-N 112.875 -1.966 . . . . 10.0 109.647 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.3 t -90.05 109.17 20.3 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.603 0 C-N-CA 114.271 -2.972 . . . . 10.0 115.23 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 47.91 26.94 4.59 Favored Glycine 0 N--CA 1.483 1.794 0 CA-C-N 110.77 -2.923 . . . . 10.0 117.272 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.1 t -89.33 -8.88 10.79 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.235 0 CA-C-N 111.395 -2.402 . . . . 10.0 108.561 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.74 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.8 tm-20 74.47 128.73 0.04 OUTLIER 'General case' 0 C--N 1.346 0.436 2 CA-C-N 105.615 -5.266 . . . . 10.0 113.846 179.761 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -153.56 123.95 7.09 Favored 'General case' 0 N--CA 1.445 -0.682 0 O-C-N 127.19 2.806 . . . . 10.0 116.073 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.11 52.68 2.38 Favored 'General case' 0 CA--C 1.482 -1.656 0 N-CA-C 115.87 1.804 . . . . 10.0 115.87 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HG3' HG23 ' A' ' 83' ' ' VAL . 10.5 pt-20 -68.15 -166.85 0.07 Allowed 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 125.422 2.534 . . . . 10.0 106.925 -179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.402 ' N ' ' HG3' ' A' ' 73' ' ' GLU . 18.2 p-80 -152.79 151.84 30.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 125.819 2.723 . . . . 10.0 110.274 179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -105.37 72.32 0.97 Allowed 'General case' 0 C--O 1.197 -1.672 0 CA-C-N 111.285 -2.689 . . . . 10.0 112.753 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.5 mtpt -86.45 96.78 10.15 Favored 'General case' 0 C--O 1.214 -0.795 0 CA-C-N 111.807 -2.452 . . . . 10.0 116.156 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 131.31 -31.14 3.19 Favored Glycine 0 C--O 1.21 -1.393 0 CA-C-N 112.422 -2.172 . . . . 10.0 112.878 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.812 HD13 ' CD2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -99.31 23.94 8.63 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 108.521 -3.839 . . . . 10.0 113.837 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 43.31 78.86 0.05 OUTLIER 'General case' 0 CA--C 1.494 -1.175 0 CA-C-N 110.811 -2.904 . . . . 10.0 114.508 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -152.3 -58.45 0.01 OUTLIER Glycine 0 C--O 1.206 -1.631 0 C-N-CA 129.152 3.263 . . . . 10.0 111.217 179.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 58.1 mtt180 65.42 2.08 1.86 Allowed 'General case' 0 CA--C 1.493 -1.229 0 O-C-N 129.738 3.846 . . . . 10.0 116.227 179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 175.77 115.37 0.02 OUTLIER 'General case' 0 C--O 1.2 -1.546 0 CA-C-N 121.634 2.015 . . . . 10.0 113.562 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' HD3' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -140.14 162.65 24.66 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.098 0 O-C-N 126.837 2.585 . . . . 10.0 115.269 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.29 104.75 7.7 Favored 'General case' 0 CA--C 1.504 -0.825 0 O-C-N 126.983 2.677 . . . . 10.0 108.766 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.59 HG22 ' CD2' ' A' ' 65' ' ' PHE . 3.2 m -87.74 128.95 35.31 Favored 'General case' 0 CA--C 1.501 -0.931 0 CA-C-N 110.733 -2.94 . . . . 10.0 117.762 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.74 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.9 OUTLIER -136.61 111.71 9.0 Favored 'General case' 0 C--O 1.209 -1.069 0 O-C-N 126.297 2.248 . . . . 10.0 111.747 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.412 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 2.3 t -111.13 127.62 68.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 126.021 2.82 . . . . 10.0 111.982 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.5 p -126.48 115.28 19.32 Favored 'General case' 0 CA--C 1.497 -1.079 0 CA-C-N 111.145 -2.752 . . . . 10.0 111.105 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 9.6 m95 -51.44 145.81 8.09 Favored 'General case' 0 N--CA 1.445 -0.677 0 O-C-N 118.032 -2.918 . . . . 10.0 105.855 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HB2' HG23 ' A' ' 95' ' ' VAL . 0.2 OUTLIER -149.32 79.08 1.39 Allowed 'General case' 0 C--O 1.197 -1.704 1 O-C-N 130.851 5.094 . . . . 10.0 114.08 -179.774 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 72.91 -78.75 0.75 Allowed Glycine 0 C--O 1.196 -2.236 0 CA-C-N 110.085 -3.234 . . . . 10.0 106.649 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -133.23 40.0 3.22 Favored 'General case' 0 C--O 1.216 -0.693 0 O-C-N 128.752 3.266 . . . . 10.0 108.678 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -143.74 -164.05 1.79 Allowed 'General case' 0 C--O 1.204 -1.293 0 CA-C-O 115.159 -2.353 . . . . 10.0 112.922 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -172.91 51.8 0.02 OUTLIER 'General case' 0 CA--C 1.479 -1.763 1 O-C-N 129.903 4.502 . . . . 10.0 113.57 -179.573 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.426 HG23 ' HB2' ' A' ' 90' ' ' GLU . 18.9 t -34.43 101.04 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.099 1 CA-C-N 108.238 -4.074 . . . . 10.0 117.851 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.427 ' C ' HG22 ' A' ' 97' ' ' VAL . 14.2 t -99.35 151.68 20.8 Favored 'General case' 0 C--O 1.214 -0.79 0 N-CA-C 103.716 -2.698 . . . . 10.0 103.716 179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -154.82 151.51 10.61 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.101 1 O-C-N 130.003 4.564 . . . . 10.0 111.186 179.867 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.606 HE22 ' NH1' ' A' ' 105' ' ' ARG . 0.7 OUTLIER -121.24 155.3 34.92 Favored 'General case' 0 C--O 1.212 -0.887 0 CA-C-O 125.189 2.423 . . . . 10.0 114.353 179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -142.44 149.63 39.53 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 108.414 -3.993 . . . . 10.0 106.126 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 143.31 -81.74 0.22 Allowed Glycine 0 C--O 1.198 -2.124 0 O-C-N 128.027 3.33 . . . . 10.0 106.415 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -121.12 10.98 10.83 Favored 'General case' 0 C--N 1.357 0.902 1 CA-C-N 107.173 -4.514 . . . . 10.0 107.403 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.531 ' HD3' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -106.74 -75.3 0.63 Allowed 'General case' 0 N--CA 1.444 -0.74 0 CA-C-N 114.191 -1.368 . . . . 10.0 112.276 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 74.41 -14.42 0.71 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 118.485 2.772 . . . . 10.0 118.485 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -158.82 44.8 0.28 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 126.702 2.502 . . . . 10.0 108.631 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.606 ' NH1' HE22 ' A' ' 98' ' ' GLN . 0.1 OUTLIER -112.91 90.25 3.3 Favored 'General case' 0 C--O 1.21 -1.003 0 O-C-N 125.802 1.939 . . . . 10.0 109.373 179.811 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -127.92 170.79 19.32 Favored Glycine 0 N--CA 1.444 -0.808 1 O-C-N 129.315 4.135 . . . . 10.0 114.369 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.825 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.22 125.41 21.58 Favored 'General case' 0 C--O 1.2 -1.541 1 O-C-N 130.53 4.312 . . . . 10.0 117.954 -179.786 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.06 70.27 2.83 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-O 126.604 3.097 . . . . 10.0 110.129 179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.55 ' HG3' HD13 ' A' ' 118' ' ' LEU . 6.4 tt0 -83.31 62.81 6.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 CA-C-N 108.74 -3.845 . . . . 10.0 110.708 -179.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.646 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.1 OUTLIER -78.13 127.55 32.46 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 114.926 -2.71 . . . . 10.0 111.915 179.209 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.0 t -79.57 137.89 20.91 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.517 0 CA-C-O 124.164 1.935 . . . . 10.0 115.974 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -116.3 -55.05 2.43 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 124.3 2.0 . . . . 10.0 113.637 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 138.76 123.59 2.14 Favored Glycine 0 C--O 1.208 -1.509 0 CA-C-N 113.094 -1.866 . . . . 10.0 112.619 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 31.71 44.39 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.141 0 C-N-CA 127.623 2.369 . . . . 10.0 113.121 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 161.09 112.22 0.0 OUTLIER 'General case' 0 C--O 1.238 0.475 2 O-C-N 131.968 5.792 . . . . 10.0 107.372 -179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.455 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.5 OUTLIER -137.07 169.99 16.86 Favored 'General case' 0 C--N 1.316 -0.881 1 O-C-N 129.902 4.501 . . . . 10.0 111.711 179.903 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.646 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 8.2 m-85 -119.41 132.92 55.91 Favored 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.663 3.727 . . . . 10.0 110.624 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.825 HD11 ' HB2' ' A' ' 107' ' ' TRP . 25.7 tp -123.89 101.85 7.47 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 110.087 -3.233 . . . . 10.0 106.335 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -87.11 108.54 18.94 Favored 'General case' 0 CA--C 1.5 -0.973 0 O-C-N 127.805 3.191 . . . . 10.0 111.371 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 120' ' ' LEU . 6.8 mt -83.07 132.33 35.12 Favored 'General case' 0 N--CA 1.479 0.998 0 O-C-N 128.263 3.477 . . . . 10.0 107.816 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.6 p -111.19 23.19 14.36 Favored 'General case' 0 C--O 1.203 -1.364 0 O-C-N 126.202 2.189 . . . . 10.0 111.775 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.547 ' SG ' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -49.18 138.89 11.73 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 125.46 1.725 . . . . 10.0 112.895 179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 52.91 -143.5 24.78 Favored Glycine 0 C--O 1.219 -0.82 0 CA-C-N 114.213 -1.358 . . . . 10.0 113.665 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -91.86 -56.39 3.11 Favored 'General case' 0 C--N 1.315 -0.929 0 C-N-CA 126.677 1.991 . . . . 10.0 106.628 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -74.54 112.46 10.75 Favored 'General case' 0 C--O 1.202 -1.419 1 O-C-N 131.34 5.4 . . . . 10.0 103.43 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 39.7 t -72.29 156.34 6.93 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.379 0 CA-C-N 111.454 -2.612 . . . . 10.0 112.689 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.49 ' HB3' ' CB ' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -135.89 -171.32 2.83 Favored 'General case' 0 CA--C 1.498 -1.042 0 C-N-CA 119.489 -0.884 . . . . 10.0 112.668 -179.804 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.5 ttt85 -151.83 115.86 4.95 Favored 'General case' 0 CA--C 1.507 -0.687 0 C-N-CA 114.823 -2.751 . . . . 10.0 112.358 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.505 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 6.4 tp-100 -90.71 150.17 21.75 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 127.926 3.266 . . . . 10.0 111.863 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 60.5 t -119.61 131.1 73.1 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 CA-C-O 126.753 3.168 . . . . 10.0 105.46 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.595 ' CE1' HD23 ' A' ' 118' ' ' LEU . 2.7 m-85 -129.76 160.22 34.11 Favored 'General case' 0 CA--C 1.482 -1.669 1 CA-C-N 108.003 -4.18 . . . . 10.0 111.932 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.292 1.9 mtmt -149.92 -172.61 4.2 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 112.968 -3.396 . . . . 10.0 105.986 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.542 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 2.0 mmmt 75.37 -168.77 0.09 Allowed 'General case' 0 C--O 1.198 -1.618 1 O-C-N 132.22 5.95 . . . . 10.0 117.667 179.82 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.5 ' CD ' ' HD2' ' A' ' 133' ' ' LYS 0.253 0.0 OUTLIER . . . . . 0 C--O 1.253 1.264 0 N-CA-C 117.739 2.496 . . . . 10.0 117.739 -177.724 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.823 ' H10' HG21 ' A' ' 54' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 120.83 0.348 . . . . 10.0 110.989 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 HG22 ' HD2' ' A' ' 3' ' ' LYS . 37.3 m 51.03 73.27 0.3 Allowed 'General case' 0 C--O 1.201 -1.472 0 CA-C-O 117.825 -1.083 . . . . 10.0 110.464 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.577 ' HD2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER 44.19 -77.97 0.0 OUTLIER 'General case' 0 N--CA 1.437 -1.108 0 O-C-N 128.224 3.452 . . . . 10.0 115.046 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' A' ' 2' ' ' THR . 0.5 OUTLIER 57.35 68.37 0.86 Allowed 'General case' 0 N--CA 1.479 1.023 0 CA-C-O 122.356 1.074 . . . . 10.0 108.744 179.865 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.413 ' OE1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -74.18 -36.39 64.05 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-O 115.093 -2.384 . . . . 10.0 108.958 -179.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.454 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -36.46 95.07 0.01 OUTLIER 'General case' 0 C--N 1.314 -0.958 0 O-C-N 126.764 2.54 . . . . 10.0 110.598 179.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.83 -174.69 25.97 Favored Glycine 0 C--O 1.197 -2.173 0 CA-C-O 116.652 -2.193 . . . . 10.0 113.261 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.755 ' OG1' HD12 ' A' ' 42' ' ' ILE . 3.9 m -119.8 150.79 39.84 Favored 'General case' 0 C--O 1.201 -1.454 1 O-C-N 132.383 5.402 . . . . 10.0 107.151 -179.323 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -174.56 89.53 0.06 Allowed 'General case' 0 CA--C 1.497 -1.071 0 O-C-N 127.561 3.038 . . . . 10.0 115.725 -178.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.3 0.7 OUTLIER -58.72 137.11 57.8 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 117.821 -1.552 . . . . 10.0 108.572 179.606 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.435 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -71.9 143.92 49.17 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 125.094 1.496 . . . . 10.0 109.155 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.13 -72.16 0.7 Allowed 'General case' 0 C--O 1.198 -1.622 0 O-C-N 127.132 2.77 . . . . 10.0 109.266 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.7 m -154.93 -175.65 5.54 Favored 'General case' 0 CA--C 1.508 -0.656 0 CA-C-N 109.133 -3.667 . . . . 10.0 111.869 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -139.53 155.44 47.51 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 109.109 -3.678 . . . . 10.0 110.576 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.01 155.87 34.68 Favored 'General case' 0 CA--C 1.476 -1.874 0 O-C-N 128.299 3.499 . . . . 10.0 108.267 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.29 44.69 21.5 Favored 'General case' 0 C--O 1.194 -1.855 0 CA-C-O 124.978 2.323 . . . . 10.0 107.293 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.551 ' HB3' HG23 ' A' ' 35' ' ' VAL . 0.2 OUTLIER -47.29 -30.24 2.99 Favored 'General case' 0 C--O 1.209 -1.056 0 CA-C-N 110.667 -2.97 . . . . 10.0 112.811 -179.347 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.289 2.9 mt-10 -70.39 -39.79 74.33 Favored 'General case' 0 N--CA 1.436 -1.164 0 CA-C-N 110.027 -3.26 . . . . 10.0 117.383 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.8 -20.27 71.25 Favored Glycine 0 N--CA 1.479 1.537 0 O-C-N 127.859 3.225 . . . . 10.0 106.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.826 ' OH ' H192 ' A' ' 135' ' ' RTL . 1.7 t80 -76.27 -31.85 58.51 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-O 125.166 2.413 . . . . 10.0 108.646 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -72.58 -27.81 62.42 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 111.445 -2.616 . . . . 10.0 112.669 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -73.39 -27.2 61.33 Favored 'General case' 0 C--O 1.209 -1.058 0 O-C-N 128.706 3.754 . . . . 10.0 114.48 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.13 -24.45 43.33 Favored 'General case' 0 N--CA 1.475 0.824 1 O-C-N 130.04 4.588 . . . . 10.0 113.322 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.0 OUTLIER -93.07 -59.13 2.12 Favored 'General case' 0 N--CA 1.486 1.325 0 CA-C-N 111.473 -2.603 . . . . 10.0 108.663 -179.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.48 45.42 0.62 Allowed 'General case' 0 C--O 1.205 -1.244 1 CA-C-O 129.587 4.517 . . . . 10.0 106.961 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.604 ' CD1' HD23 ' A' ' 78' ' ' LEU . 1.7 tt -88.2 -54.4 7.98 Favored 'Isoleucine or valine' 0 C--N 1.359 0.98 1 CA-C-N 107.568 -4.378 . . . . 10.0 114.181 179.653 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.14 157.83 0.09 Allowed 'General case' 0 N--CA 1.484 1.245 0 O-C-N 120.977 -1.077 . . . . 10.0 110.517 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.5 p90 -74.6 -21.4 59.49 Favored 'General case' 0 C--O 1.21 -1.006 0 O-C-N 127.669 3.106 . . . . 10.0 111.318 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.25 -45.46 39.94 Favored 'General case' 0 C--O 1.204 -1.296 0 CA-C-O 124.729 2.204 . . . . 10.0 111.947 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 88.2 m -56.6 -33.69 66.46 Favored 'General case' 0 C--N 1.356 0.872 0 CA-C-N 109.294 -3.594 . . . . 10.0 117.082 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -30.61 54.17 Favored 'General case' 0 CA--C 1.497 -1.07 0 O-C-N 128.519 3.637 . . . . 10.0 111.169 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.69 ' HG3' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -71.42 -29.69 65.18 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 126.235 2.21 . . . . 10.0 113.403 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.73 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.2 mm -78.47 -34.66 18.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.656 1 O-C-N 129.722 4.389 . . . . 10.0 109.081 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HA ' HD12 ' A' ' 37' ' ' LEU . . . -72.52 -20.87 61.27 Favored 'General case' 0 C--N 1.356 0.87 0 CA-C-N 111.352 -2.658 . . . . 10.0 110.269 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.551 HG23 ' HB3' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -68.14 -35.1 70.16 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 N-CA-C 116.376 1.991 . . . . 10.0 116.376 -179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.31 -1.85 11.23 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 112.452 -2.158 . . . . 10.0 114.184 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -52.06 140.24 21.06 Favored 'General case' 0 N--CA 1.439 -0.977 1 O-C-N 129.638 4.336 . . . . 10.0 110.769 -179.704 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.6 p -128.7 42.38 3.33 Favored 'General case' 0 C--N 1.322 -0.622 1 O-C-N 130.4 4.812 . . . . 10.0 111.79 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -60.68 176.2 0.4 Allowed 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 114.972 -1.013 . . . . 10.0 111.642 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.7 m -110.33 150.35 28.89 Favored 'General case' 0 C--O 1.2 -1.504 0 O-C-N 128.764 3.79 . . . . 10.0 111.851 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.45 162.32 40.35 Favored 'General case' 0 CA--C 1.505 -0.757 1 O-C-N 129.15 4.031 . . . . 10.0 109.779 179.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.755 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.9 OUTLIER 179.74 115.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.318 0 O-C-N 125.496 1.748 . . . . 10.0 111.582 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.477 HG22 ' N ' ' A' ' 44' ' ' VAL 0.355 18.6 mt -96.6 175.87 0.75 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 110.498 -3.046 . . . . 10.0 109.155 -179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 6.1 p -162.83 72.85 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.737 0 C-N-CA 114.693 -2.803 . . . . 10.0 112.123 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 50' ' ' PHE . 0.5 OUTLIER -48.03 111.99 0.51 Allowed 'General case' 0 CA--C 1.495 -1.162 0 N-CA-C 117.608 2.447 . . . . 10.0 117.608 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -112.3 5.81 18.51 Favored 'General case' 0 CA--C 1.495 -1.164 0 O-C-N 128.098 3.374 . . . . 10.0 112.814 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.51 106.74 0.36 Allowed Glycine 0 C--O 1.208 -1.494 0 C-N-CA 124.478 1.037 . . . . 10.0 115.63 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.6 t70 68.17 8.24 6.42 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 118.455 2.761 . . . . 10.0 118.455 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.5 OUTLIER -173.88 99.17 0.11 Allowed 'General case' 0 C--N 1.352 0.691 0 C-N-CA 127.44 2.296 . . . . 10.0 112.675 179.783 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -124.18 -175.58 3.28 Favored 'General case' 0 CA--C 1.498 -1.038 0 O-C-N 128.21 3.444 . . . . 10.0 117.596 -179.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.48 135.05 2.38 Favored 'General case' 0 CA--C 1.481 -1.683 0 N-CA-C 114.527 1.306 . . . . 10.0 114.527 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.312 0.0 OUTLIER -135.94 153.51 51.4 Favored 'General case' 0 CA--C 1.509 -0.634 1 O-C-N 129.547 4.279 . . . . 10.0 110.801 -179.923 . . . . . . . . 5 4 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.03 157.67 46.27 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.373 3.546 . . . . 10.0 105.169 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.603 HG21 ' H10' ' A' ' 135' ' ' RTL . 22.6 p -109.9 138.62 46.02 Favored 'General case' 0 CA--C 1.499 -0.982 0 O-C-N 128.475 3.61 . . . . 10.0 114.632 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -120.34 73.57 1.0 Allowed 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.967 1.469 . . . . 10.0 114.967 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.24 150.69 24.19 Favored 'General case' 0 C--N 1.316 -0.889 0 O-C-N 127.082 2.739 . . . . 10.0 107.468 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.4 p -79.27 -24.71 42.76 Favored 'General case' 0 N--CA 1.466 0.365 1 O-C-N 130.563 4.915 . . . . 10.0 108.252 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CD1' HG13 ' A' ' 33' ' ' ILE . 1.1 t80 -84.7 -60.71 1.98 Allowed 'General case' 0 C--N 1.347 0.462 0 O-C-N 126.072 2.107 . . . . 10.0 115.936 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.52 ' CB ' ' H22' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -139.93 145.91 38.53 Favored 'General case' 0 C--O 1.216 -0.692 0 C-N-CA 115.379 -2.528 . . . . 10.0 112.615 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -99.13 146.27 26.3 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 127.663 3.102 . . . . 10.0 110.233 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -166.88 161.89 15.51 Favored 'General case' 0 C--N 1.316 -0.878 0 O-C-N 128.221 3.451 . . . . 10.0 111.795 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.3 p30 -145.11 154.74 42.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 128.496 3.623 . . . . 10.0 113.43 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.432 HD23 ' H12' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -123.43 34.7 5.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 CA-C-N 115.204 -0.907 . . . . 10.0 113.141 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -55.9 123.5 14.48 Favored 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 107.096 -1.446 . . . . 10.0 107.096 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -156.01 154.98 31.92 Favored 'General case' 0 CA--C 1.499 -1.001 0 CA-C-O 123.615 1.674 . . . . 10.0 110.707 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.479 HG22 ' CG2' ' A' ' 69' ' ' VAL . 95.1 m -97.34 96.26 8.26 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 111.803 -2.453 . . . . 10.0 105.558 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.84 HG11 ' HD1' ' A' ' 89' ' ' TRP . 21.5 t -43.45 120.05 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.481 -1.698 0 O-C-N 127.852 3.22 . . . . 10.0 115.079 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.13 67.41 Favored Glycine 0 C--O 1.205 -1.665 0 CA-C-N 113.006 -1.906 . . . . 10.0 116.105 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.479 ' CG2' HG22 ' A' ' 66' ' ' THR 0.253 95.2 t -117.7 83.07 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 O-C-N 127.111 2.301 . . . . 10.0 106.861 -179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -33.57 144.72 0.02 OUTLIER 'General case' 0 C--N 1.354 0.762 1 O-C-N 130.95 5.157 . . . . 10.0 115.38 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -146.42 121.04 9.78 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-N 109.67 -3.423 . . . . 10.0 117.659 -179.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 72' ' ' ASP . 0.5 OUTLIER -74.42 87.31 2.05 Favored 'General case' 0 C--O 1.208 -1.099 0 CA-C-O 123.145 1.45 . . . . 10.0 111.575 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 83' ' ' VAL . 1.4 tp10 -66.12 -158.74 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 124.045 1.879 . . . . 10.0 108.737 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -166.6 114.59 0.87 Allowed 'General case' 0 C--O 1.209 -1.061 0 O-C-N 120.901 -1.125 . . . . 10.0 113.754 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -89.29 6.92 38.15 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 111.483 -2.599 . . . . 10.0 111.681 -179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.484 ' HA ' ' CG ' ' A' ' 81' ' ' ARG . 1.6 ptmm? -61.31 100.91 0.14 Allowed 'General case' 0 C--O 1.211 -0.932 0 CA-C-O 123.647 1.689 . . . . 10.0 113.579 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 145.19 -33.3 1.61 Allowed Glycine 0 C--O 1.213 -1.203 0 CA-C-N 113.576 -1.647 . . . . 10.0 109.1 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.604 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -87.52 -56.99 3.12 Favored 'General case' 0 C--N 1.346 0.44 2 CA-C-N 107.015 -4.592 . . . . 10.0 110.65 179.893 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 5.4 t70 177.75 -28.18 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.902 0 C-N-CA 116.429 -2.108 . . . . 10.0 114.362 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.43 ' C ' ' HG3' ' A' ' 81' ' ' ARG . . . -73.85 -86.56 0.23 Allowed Glycine 0 N--CA 1.478 1.464 0 N-CA-C 117.382 1.713 . . . . 10.0 117.382 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.484 ' CG ' ' HA ' ' A' ' 76' ' ' LYS . 1.1 mtt180 92.98 19.92 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.277 0 O-C-N 128.973 3.396 . . . . 10.0 112.111 179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 176.47 90.31 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.107 0 O-C-N 125.298 1.624 . . . . 10.0 114.959 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' HB3' ' A' ' 73' ' ' GLU . 2.9 m -133.67 143.72 37.92 Favored 'Isoleucine or valine' 0 C--N 1.366 1.285 0 N-CA-C 116.596 2.073 . . . . 10.0 116.596 179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.74 116.76 27.23 Favored 'General case' 0 CA--C 1.495 -1.154 1 O-C-N 130.049 4.593 . . . . 10.0 112.777 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.3 m -97.91 140.5 32.18 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.346 2.904 . . . . 10.0 114.94 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.549 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.2 tt -148.86 116.43 6.22 Favored 'General case' 0 C--N 1.349 0.563 0 CA-C-N 111.178 -2.737 . . . . 10.0 109.039 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.666 HG12 HG13 ' A' ' 67' ' ' VAL . 95.8 t -118.88 150.65 21.13 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.304 0 CA-C-O 123.218 1.485 . . . . 10.0 113.854 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 15.8 m -149.54 115.5 5.68 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 112.341 -2.208 . . . . 10.0 111.846 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.84 ' HD1' HG11 ' A' ' 67' ' ' VAL . 15.1 m95 -53.87 127.08 24.7 Favored 'General case' 0 C--N 1.355 0.804 0 O-C-N 120.64 -1.287 . . . . 10.0 108.74 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.422 ' HG3' HG23 ' A' ' 95' ' ' VAL . 14.9 mt-10 -84.28 -61.09 1.89 Allowed 'General case' 0 CA--C 1.487 -1.461 0 CA-C-O 128.478 3.989 . . . . 10.0 113.216 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -146.3 -86.63 0.07 OUTLIER Glycine 0 C--O 1.205 -1.716 1 N-CA-C 102.882 -4.087 . . . . 10.0 102.882 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -98.74 -18.6 17.92 Favored 'General case' 0 C--O 1.204 -1.295 0 O-C-N 128.867 3.333 . . . . 10.0 107.927 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -94.87 170.09 9.68 Favored 'General case' 0 C--O 1.204 -1.295 0 C-N-CA 128.253 2.621 . . . . 10.0 113.852 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.497 ' H ' HG22 ' A' ' 93' ' ' THR . 0.6 OUTLIER -147.37 70.79 1.19 Allowed 'General case' 0 CA--C 1.478 -1.813 1 O-C-N 129.176 4.047 . . . . 10.0 113.719 179.752 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG23 ' HG3' ' A' ' 90' ' ' GLU 0.281 2.8 t -51.18 136.12 10.76 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-O 114.796 -2.526 . . . . 10.0 113.461 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 11.6 t -128.62 157.99 39.75 Favored 'General case' 0 N--CA 1.485 1.299 0 O-C-N 127.942 3.276 . . . . 10.0 106.211 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.41 95.43 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 0 CA-C-O 127.33 3.443 . . . . 10.0 114.736 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.41 159.32 33.45 Favored 'General case' 0 C--N 1.363 1.171 0 CA-C-N 111.489 -2.596 . . . . 10.0 108.936 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 23.6 mmtt -145.65 175.59 10.26 Favored 'General case' 0 C--O 1.203 -1.375 0 CA-C-N 110.151 -3.204 . . . . 10.0 110.097 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 80.86 62.34 2.03 Favored Glycine 0 C--O 1.206 -1.628 0 CA-C-N 115.174 -0.921 . . . . 10.0 112.421 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 107.84 -23.31 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 130.036 4.021 . . . . 10.0 109.416 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 9.8 mptt -74.8 -54.28 7.6 Favored 'General case' 0 C--O 1.209 -1.038 0 CA-C-O 124.219 1.961 . . . . 10.0 113.101 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 14.9 mt-10 42.22 70.17 0.31 Allowed 'General case' 0 N--CA 1.43 -1.459 0 CA-C-N 110.933 -2.849 . . . . 10.0 117.276 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 104.74 40.55 0.0 OUTLIER 'General case' 0 C--O 1.246 0.887 2 O-C-N 133.036 6.46 . . . . 10.0 111.02 178.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.618 ' NH2' H193 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -93.29 85.82 5.12 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 127.119 2.762 . . . . 10.0 107.875 178.787 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -117.51 155.81 15.95 Favored Glycine 0 N--CA 1.441 -1.001 1 O-C-N 131.046 5.216 . . . . 10.0 116.249 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.537 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -129.06 131.99 47.39 Favored 'General case' 0 C--O 1.208 -1.112 1 O-C-N 131.287 4.757 . . . . 10.0 117.78 -179.898 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.3 mttt -113.06 81.18 1.45 Allowed 'General case' 0 C--N 1.349 0.57 0 O-C-N 128.726 3.766 . . . . 10.0 110.346 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -83.92 59.09 5.04 Favored 'General case' 0 CA--C 1.495 -1.169 0 CA-C-N 109.002 -3.726 . . . . 10.0 110.426 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.534 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -79.23 122.69 26.62 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 116.163 -2.215 . . . . 10.0 111.997 179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -70.68 130.04 34.76 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.95 0 N-CA-C 118.86 2.911 . . . . 10.0 118.86 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.21 4.1 10.84 Favored 'General case' 0 CA--C 1.486 -1.481 0 CA-C-N 110.891 -2.868 . . . . 10.0 115.791 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 76.99 111.06 0.14 Allowed Glycine 0 C--O 1.204 -1.748 0 N-CA-C 116.754 1.461 . . . . 10.0 116.754 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 43.43 32.57 0.52 Allowed 'General case' 0 CA--C 1.509 -0.614 0 C-N-CA 125.788 1.635 . . . . 10.0 112.939 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.2 tptm 167.09 113.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 127.574 3.046 . . . . 10.0 106.665 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.6 pp -137.12 140.49 41.94 Favored 'General case' 0 C--N 1.315 -0.902 0 O-C-N 127.628 3.08 . . . . 10.0 110.87 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.7 m-85 -94.51 91.99 6.88 Favored 'General case' 0 CA--C 1.503 -0.829 1 O-C-N 129.486 4.241 . . . . 10.0 115.112 179.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.537 HD11 ' CB ' ' A' ' 107' ' ' TRP . 17.7 tp -79.14 115.29 18.72 Favored 'General case' 0 C--N 1.36 1.037 0 CA-C-N 109.164 -3.653 . . . . 10.0 107.74 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.411 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 27.9 mt-10 -85.68 148.37 25.92 Favored 'General case' 0 CA--C 1.494 -1.21 0 CA-C-O 116.868 -1.539 . . . . 10.0 109.984 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.657 HD22 ' SG ' ' A' ' 122' ' ' CYS . 5.1 mt -136.79 98.27 3.74 Favored 'General case' 0 C--N 1.359 0.997 1 O-C-N 129.496 4.247 . . . . 10.0 108.565 179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 11.5 p -70.01 -11.96 61.26 Favored 'General case' 0 C--O 1.204 -1.34 0 O-C-N 128.164 3.415 . . . . 10.0 108.55 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.657 ' SG ' HD22 ' A' ' 120' ' ' LEU . 18.0 m -20.0 81.57 0.0 OUTLIER 'General case' 0 CA--C 1.503 -0.845 0 O-C-N 126.835 2.584 . . . . 10.0 116.615 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.33 -166.6 12.36 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-O 125.481 2.712 . . . . 10.0 112.143 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -70.35 -48.71 55.17 Favored 'General case' 0 C--O 1.206 -1.22 0 CA-C-N 110.94 -2.63 . . . . 10.0 108.503 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -99.04 138.78 35.65 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 127.019 2.7 . . . . 10.0 104.724 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.46 139.89 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.13 0 O-C-N 127.258 2.849 . . . . 10.0 116.826 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -122.24 -179.31 4.13 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 106.272 -1.751 . . . . 10.0 106.272 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 48.9 ttm-85 -147.57 145.94 29.22 Favored 'General case' 0 CA--C 1.493 -1.241 0 C-N-CA 117.014 -1.874 . . . . 10.0 113.191 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -108.89 132.54 53.94 Favored 'General case' 0 CA--C 1.492 -1.257 0 O-C-N 127.466 2.979 . . . . 10.0 111.405 -179.593 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -106.29 134.67 47.21 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 N-CA-C 103.436 -2.801 . . . . 10.0 103.436 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.435 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.312 2.7 m-85 -141.53 177.31 8.22 Favored 'General case' 0 CA--C 1.477 -1.84 0 CA-C-N 108.424 -3.989 . . . . 10.0 112.438 -179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.96 152.66 26.94 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 103.791 -2.67 . . . . 10.0 103.791 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.23 176.88 8.48 Favored 'General case' 0 CA--C 1.487 -1.47 0 O-C-N 128.256 3.472 . . . . 10.0 118.859 -179.65 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.03 0 N-CA-C 117.189 2.292 . . . . 10.0 117.189 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.826 H192 ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.2 ttp . . . . . 0 N--CA 1.515 2.807 0 N-CA-C 106.797 -1.557 . . . . 10.0 106.797 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 ' C ' ' HG2' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -58.45 -73.34 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.132 -1.427 . . . . 10.0 108.936 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.2 OUTLIER -163.51 -85.15 0.03 OUTLIER 'General case' 0 C--N 1.355 0.809 0 N-CA-C 115.871 1.804 . . . . 10.0 115.871 179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 51.67 90.64 0.02 OUTLIER 'General case' 0 C--O 1.238 0.492 0 C-N-CA 125.289 1.436 . . . . 10.0 109.917 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.754 ' OE1' HD22 ' A' ' 94' ' ' LEU . 22.2 mt-30 -64.41 -56.68 12.64 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 114.271 -2.776 . . . . 10.0 103.908 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -25.46 83.79 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.823 1 O-C-N 129.411 4.194 . . . . 10.0 115.958 179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.33 -175.01 24.25 Favored Glycine 0 C--O 1.209 -1.414 0 CA-C-O 117.163 -1.909 . . . . 10.0 113.217 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.491 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.4 m -120.51 147.11 45.58 Favored 'General case' 0 C--N 1.313 -1.015 1 O-C-N 130.337 4.198 . . . . 10.0 106.93 -179.646 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.843 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -160.65 77.35 0.6 Allowed 'General case' 0 CA--C 1.494 -1.199 1 O-C-N 129.912 4.508 . . . . 10.0 116.267 -178.961 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' HG3' HG23 ' A' ' 40' ' ' THR . 3.3 tt0 -55.42 100.34 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.64 -1.245 . . . . 10.0 107.64 179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.542 ' HG3' ' CZ ' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -50.14 130.03 21.92 Favored 'General case' 0 CA--C 1.513 -0.464 0 CA-C-N 110.909 -2.86 . . . . 10.0 107.573 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.596 ' O ' HG22 ' A' ' 38' ' ' THR . 48.7 tt0 -93.06 -64.56 1.08 Allowed 'General case' 0 C--O 1.22 -0.451 1 O-C-N 129.933 4.52 . . . . 10.0 107.86 -179.845 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -175.03 -175.73 0.89 Allowed 'General case' 0 C--N 1.352 0.698 0 C-N-CA 115.922 -2.311 . . . . 10.0 109.062 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -131.45 165.24 23.97 Favored 'General case' 0 CA--C 1.49 -1.329 1 O-C-N 129.801 4.438 . . . . 10.0 114.044 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -94.7 -78.03 0.45 Allowed 'General case' 0 CA--C 1.483 -1.605 1 O-C-N 130.361 4.788 . . . . 10.0 108.214 -179.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -76.77 69.77 3.17 Favored 'General case' 0 C--O 1.195 -1.769 0 O-C-N 119.769 -1.832 . . . . 10.0 108.73 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.61 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -49.02 -30.81 6.58 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 112.181 -2.281 . . . . 10.0 112.196 -179.82 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.357 90.9 mt-10 -77.71 -21.99 51.1 Favored 'General case' 0 N--CA 1.439 -1.001 0 CA-C-N 113.341 -1.754 . . . . 10.0 114.915 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -62.22 -28.22 70.43 Favored Glycine 0 CA--C 1.486 -1.781 0 O-C-N 126.155 2.159 . . . . 10.0 112.164 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -77.39 -45.34 26.26 Favored 'General case' 0 C--O 1.196 -1.733 0 CA-C-N 120.932 2.366 . . . . 10.0 107.227 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.2 ttp -61.9 -23.69 66.48 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 112.519 -2.128 . . . . 10.0 114.29 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -75.59 -47.9 24.66 Favored 'General case' 0 C--O 1.202 -1.403 0 O-C-N 127.346 2.904 . . . . 10.0 110.115 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.11 -30.33 71.4 Favored 'General case' 0 C--O 1.207 -1.132 1 O-C-N 129.287 4.117 . . . . 10.0 112.798 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 24' ' ' LEU 0.254 4.7 tp -102.39 -171.12 1.91 Allowed 'General case' 0 N--CA 1.475 0.822 2 O-C-N 131.454 5.471 . . . . 10.0 103.449 -179.947 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -157.96 39.82 0.27 Allowed 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 127.143 3.354 . . . . 10.0 106.563 179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.7 HG12 HG21 ' A' ' 30' ' ' THR . 4.7 tt -72.25 -22.69 20.99 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.028 0 CA-C-N 108.834 -3.803 . . . . 10.0 112.228 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 28.4 t0 112.43 146.36 0.0 OUTLIER 'General case' 0 C--O 1.222 -0.35 0 CA-C-N 110.903 -2.862 . . . . 10.0 113.903 178.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -60.41 -20.01 58.14 Favored 'General case' 0 C--O 1.208 -1.1 0 O-C-N 127.926 3.266 . . . . 10.0 116.839 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -74.63 -26.54 59.95 Favored 'General case' 0 C--O 1.208 -1.13 0 O-C-N 127.119 2.762 . . . . 10.0 109.076 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.7 HG21 HG12 ' A' ' 26' ' ' ILE . 6.4 m -63.42 -57.1 11.38 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 128.197 3.436 . . . . 10.0 116.327 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -64.1 -21.95 66.74 Favored 'General case' 0 C--O 1.218 -0.582 0 C-N-CA 126.554 1.942 . . . . 10.0 112.744 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.16 -36.53 61.51 Favored 'General case' 0 C--O 1.208 -1.122 1 O-C-N 129.471 4.232 . . . . 10.0 110.224 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.627 HG22 HD23 ' A' ' 37' ' ' LEU . 1.5 mm -78.81 -28.92 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 127.631 3.082 . . . . 10.0 111.234 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.48 -23.06 46.61 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 125.055 2.359 . . . . 10.0 110.054 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -62.31 -31.71 52.55 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.094 0 CA-C-N 110.543 -3.026 . . . . 10.0 115.525 -179.885 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -121.87 -19.85 6.58 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 112.676 -2.056 . . . . 10.0 115.074 -179.67 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.653 ' C ' HD12 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -90.94 134.27 34.6 Favored 'General case' 0 C--O 1.222 -0.373 0 O-C-N 127.549 3.03 . . . . 10.0 108.225 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.596 HG22 ' O ' ' A' ' 12' ' ' GLU . 69.1 p -98.48 102.42 14.16 Favored 'General case' 0 CA--C 1.508 -0.652 1 O-C-N 130.304 4.752 . . . . 10.0 116.271 179.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.406 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 14.6 pm0 -88.29 -171.58 3.43 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 116.92 -1.912 . . . . 10.0 114.55 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.563 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -112.39 167.28 10.57 Favored 'General case' 0 C--O 1.204 -1.308 0 O-C-N 127.567 3.042 . . . . 10.0 112.388 179.663 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.563 ' H ' HG22 ' A' ' 40' ' ' THR . 0.0 OUTLIER -172.22 148.15 2.11 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 127.553 3.033 . . . . 10.0 108.762 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.2 tt -162.04 112.56 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.949 0 O-C-N 125.969 2.043 . . . . 10.0 111.1 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.843 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.392 45.9 mt -92.86 166.01 1.84 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 111.297 -2.683 . . . . 10.0 108.1 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.8 p -174.11 125.07 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.092 0 CA-C-N 112.566 -2.106 . . . . 10.0 109.253 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.53 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 19.5 pt20 -122.19 163.92 18.72 Favored 'General case' 0 CA--C 1.488 -1.409 0 N-CA-C 118.945 2.943 . . . . 10.0 118.945 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -118.49 -2.75 10.99 Favored 'General case' 0 C--N 1.363 1.169 1 CA-C-N 108.221 -4.082 . . . . 10.0 113.12 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.32 -54.56 0.58 Allowed Glycine 0 CA--C 1.496 -1.109 0 CA-C-O 124.827 2.348 . . . . 10.0 113.381 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -149.25 27.73 0.83 Allowed 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 112.317 -1.941 . . . . 10.0 111.527 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 8.4 t30 -156.86 97.65 1.71 Allowed 'General case' 0 N--CA 1.44 -0.953 0 O-C-N 127.535 3.022 . . . . 10.0 110.087 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HB3' ' HB3' ' A' ' 45' ' ' GLN . 10.1 p90 -117.38 156.33 28.07 Favored 'General case' 0 C--N 1.317 -0.847 1 O-C-N 130.086 4.616 . . . . 10.0 118.325 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.45 135.6 22.66 Favored 'General case' 0 CA--C 1.493 -1.246 0 C-N-CA 114.702 -2.799 . . . . 10.0 114.85 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.36 0.2 OUTLIER -147.81 158.53 44.07 Favored 'General case' 0 C--N 1.366 1.318 0 CA-C-N 111.106 -2.77 . . . . 10.0 112.85 -179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.34 163.15 40.05 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 107.435 -1.32 . . . . 10.0 107.435 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.403 HG22 ' HG3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -98.28 172.45 7.56 Favored 'General case' 0 CA--C 1.514 -0.432 0 O-C-N 129.084 3.99 . . . . 10.0 110.775 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -144.84 36.83 1.16 Allowed 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 112.529 -2.123 . . . . 10.0 113.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 13.8 t -69.55 141.38 53.83 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 126.215 2.197 . . . . 10.0 107.368 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.479 ' OG1' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -63.88 -40.61 96.94 Favored 'General case' 0 C--O 1.207 -1.183 1 O-C-N 130.855 5.097 . . . . 10.0 106.389 -179.981 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.564 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -67.55 -71.42 0.21 Allowed 'General case' 0 CA--C 1.535 0.37 0 O-C-N 127.665 3.103 . . . . 10.0 115.695 179.801 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.17 126.44 18.57 Favored 'General case' 0 C--O 1.215 -0.744 0 C-N-CA 114.244 -2.983 . . . . 10.0 114.149 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.2 p-10 -78.29 157.02 29.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 112.492 -2.14 . . . . 10.0 106.466 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CD1' HD13 ' A' ' 78' ' ' LEU . 21.2 t80 -158.0 146.3 18.88 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 128.253 3.471 . . . . 10.0 108.819 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -127.22 151.74 48.31 Favored 'General case' 0 N--CA 1.476 0.874 1 O-C-N 129.314 4.134 . . . . 10.0 109.049 179.796 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -115.15 -21.69 9.84 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 114.973 -2.441 . . . . 10.0 116.453 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.7 t70 10.48 87.47 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.561 1 O-C-N 130.82 5.075 . . . . 10.0 112.93 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 8.1 t80 -141.46 154.1 45.35 Favored 'General case' 0 CA--C 1.483 -1.633 1 CA-C-O 128.841 4.162 . . . . 10.0 111.918 -178.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.7 OUTLIER -85.96 178.4 7.28 Favored 'General case' 0 C--O 1.208 -1.124 0 CA-C-N 109.872 -3.331 . . . . 10.0 107.211 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.571 HG13 HG12 ' A' ' 87' ' ' VAL . 21.2 t -116.31 104.34 16.5 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.441 0 O-C-N 127.651 3.094 . . . . 10.0 112.062 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 98.62 -8.64 61.99 Favored Glycine 0 C--N 1.352 1.47 1 O-C-N 129.653 4.346 . . . . 10.0 112.981 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -118.78 114.58 45.31 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.12 154.43 5.63 Favored 'General case' 0 C--N 1.355 0.828 0 O-C-N 127.785 3.178 . . . . 10.0 112.817 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.493 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 20.1 t80 -149.18 88.65 1.6 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 129.075 3.984 . . . . 10.0 117.354 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.02 93.61 0.01 OUTLIER 'General case' 0 CA--C 1.491 -1.314 0 N-CA-C 114.004 1.113 . . . . 10.0 114.004 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.417 ' HG2' ' CD2' ' A' ' 71' ' ' PHE . 4.8 mm-40 -86.14 -173.34 4.52 Favored 'General case' 0 C--O 1.207 -1.169 0 CA-C-O 126.736 3.16 . . . . 10.0 112.089 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.421 ' CE1' ' HB2' ' A' ' 82' ' ' ASN . 0.1 OUTLIER -156.52 133.59 10.48 Favored 'General case' 0 C--O 1.218 -0.556 0 O-C-N 119.902 -1.749 . . . . 10.0 115.212 179.829 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 67.8 p -93.76 40.44 1.07 Allowed 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 113.737 -1.574 . . . . 10.0 112.607 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -73.8 -9.07 58.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 123.126 1.441 . . . . 10.0 112.874 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -88.12 -5.59 76.4 Favored Glycine 0 N--CA 1.477 1.426 0 CA-C-N 112.303 -2.226 . . . . 10.0 110.507 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' CD1' ' A' ' 61' ' ' TYR . 5.8 mp -119.48 -68.16 0.93 Allowed 'General case' 0 CA--C 1.5 -0.967 1 CA-C-N 108.082 -4.059 . . . . 10.0 114.755 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.69 -46.26 1.87 Allowed 'General case' 0 CA--C 1.5 -0.957 0 CA-C-N 114.531 -1.213 . . . . 10.0 113.004 -179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 64.3 1.02 Allowed Glycine 0 CA--C 1.501 -0.817 0 C-N-CA 129.317 3.341 . . . . 10.0 116.585 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -98.18 -91.66 0.26 Allowed 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 110.506 -2.847 . . . . 10.0 109.293 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.421 ' HB2' ' CE1' ' A' ' 74' ' ' HIS . 0.2 OUTLIER 155.96 136.18 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 O-C-N 127.369 2.918 . . . . 10.0 108.334 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG11 ' OE1' ' A' ' 98' ' ' GLN . 3.4 m -152.29 163.41 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 1 O-C-N 129.466 4.229 . . . . 10.0 112.301 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.48 ' HG2' ' C ' ' A' ' 83' ' ' VAL . 3.6 mttt -147.57 109.06 4.33 Favored 'General case' 0 CA--C 1.492 -1.279 0 O-C-N 128.198 3.436 . . . . 10.0 114.89 -179.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.403 HG22 ' SG ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -70.4 150.63 46.06 Favored 'General case' 0 C--O 1.21 -0.989 0 CA-C-N 110.281 -3.145 . . . . 10.0 117.635 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.4 tt -158.58 111.07 2.27 Favored 'General case' 0 N--CA 1.435 -1.19 1 O-C-N 129.15 4.031 . . . . 10.0 110.408 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.571 HG12 HG13 ' A' ' 67' ' ' VAL . 2.1 t -119.57 150.84 22.01 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.698 0 CA-C-O 123.779 1.752 . . . . 10.0 113.559 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.4 m -158.36 131.08 7.16 Favored 'General case' 0 CA--C 1.476 -1.873 0 CA-C-N 108.962 -3.744 . . . . 10.0 111.545 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 75.2 m95 -59.12 136.61 58.0 Favored 'General case' 0 C--N 1.359 1.002 0 CA-C-O 114.68 -2.581 . . . . 10.0 105.688 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -137.65 52.95 1.86 Allowed 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 131.827 5.584 . . . . 10.0 115.74 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 80.45 85.32 0.65 Allowed Glycine 0 CA--C 1.539 1.54 1 CA-C-N 107.357 -4.474 . . . . 10.0 105.1 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 53.07 36.48 22.34 Favored 'General case' 0 N--CA 1.429 -1.493 0 C-N-CA 130.796 3.638 . . . . 10.0 110.644 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -126.71 -144.43 0.3 Allowed 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 112.28 -2.236 . . . . 10.0 112.321 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.754 HD22 ' OE1' ' A' ' 5' ' ' GLN . 0.8 OUTLIER 168.91 49.64 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.427 0 O-C-N 126.97 2.669 . . . . 10.0 112.624 -179.818 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.699 HG22 ' HG2' ' A' ' 108' ' ' LYS . 53.0 t -44.51 113.92 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.367 1.37 1 CA-C-N 107.115 -4.584 . . . . 10.0 113.934 -179.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.507 ' SG ' HG23 ' A' ' 87' ' ' VAL . 14.2 t -109.58 153.86 23.57 Favored 'General case' 0 C--O 1.209 -1.078 0 CA-C-N 114.152 -1.385 . . . . 10.0 107.962 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -150.92 121.78 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.143 1 CA-C-O 129.319 4.39 . . . . 10.0 111.816 179.807 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.485 ' OE1' HG11 ' A' ' 83' ' ' VAL . 4.4 mt-30 -85.21 162.0 19.36 Favored 'General case' 0 C--N 1.359 1.01 0 O-C-N 116.809 -3.682 . . . . 10.0 109.694 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -137.45 -177.42 4.77 Favored 'General case' 0 CA--C 1.498 -1.057 0 CA-C-N 108.993 -3.73 . . . . 10.0 111.483 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.59 -71.09 0.21 Allowed Glycine 0 C--O 1.218 -0.898 1 CA-C-O 127.881 4.045 . . . . 10.0 108.227 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -137.43 18.95 2.92 Favored 'General case' 0 C--O 1.215 -0.72 1 CA-C-N 108.058 -4.071 . . . . 10.0 112.456 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -119.94 -63.01 1.42 Allowed 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 125.717 2.675 . . . . 10.0 116.176 179.808 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 58.8 8.65 0.98 Allowed 'General case' 0 N--CA 1.429 -1.495 0 CA-C-N 111.34 -2.663 . . . . 10.0 118.08 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.8 p-10 -162.5 26.11 0.1 Allowed 'General case' 0 N--CA 1.482 1.14 0 O-C-N 127.577 3.048 . . . . 10.0 109.368 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.421 ' HG3' ' SG ' ' A' ' 122' ' ' CYS . 14.3 ttt-85 -98.22 91.57 5.31 Favored 'General case' 0 C--N 1.311 -1.101 0 CA-C-N 121.029 1.741 . . . . 10.0 109.995 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.537 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -124.02 164.57 17.24 Favored Glycine 0 N--CA 1.428 -1.891 0 CA-C-N 110.703 -2.953 . . . . 10.0 118.007 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.746 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.69 114.92 13.99 Favored 'General case' 0 C--O 1.204 -1.318 1 O-C-N 134.032 6.372 . . . . 10.0 113.879 179.991 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.699 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.6 mtpm? -108.36 79.32 1.24 Allowed 'General case' 0 C--N 1.349 0.583 0 CA-C-N 111.963 -2.38 . . . . 10.0 116.695 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.739 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.86 119.85 32.61 Favored 'General case' 0 C--N 1.362 1.118 0 N-CA-C 103.423 -2.806 . . . . 10.0 103.423 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.537 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 7.7 p90 -108.4 8.77 27.67 Favored 'General case' 0 CA--C 1.488 -1.416 0 O-C-N 128.18 3.425 . . . . 10.0 117.781 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.54 ' H ' HD12 ' A' ' 116' ' ' LEU . 15.3 t 45.76 116.96 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.492 -1.257 1 CA-C-O 130.033 4.73 . . . . 10.0 118.13 -179.865 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -107.71 -80.63 0.57 Allowed 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.408 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 171.76 112.14 0.27 Allowed Glycine 0 C--O 1.204 -1.747 0 O-C-N 119.956 -1.715 . . . . 10.0 114.726 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 50.59 25.27 1.94 Allowed 'General case' 0 C--N 1.35 0.592 0 CA-C-O 115.197 -2.335 . . . . 10.0 111.945 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 170.66 92.53 0.0 OUTLIER 'General case' 0 C--N 1.314 -0.947 1 O-C-N 131.599 5.562 . . . . 10.0 109.545 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.54 HD12 ' H ' ' A' ' 111' ' ' VAL . 1.0 OUTLIER -110.96 161.29 16.0 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 127.738 3.149 . . . . 10.0 110.159 179.599 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.537 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.3 m-85 -121.49 141.03 51.42 Favored 'General case' 0 C--O 1.206 -1.231 1 O-C-N 129.957 4.536 . . . . 10.0 110.559 -179.717 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.746 HD11 ' CB ' ' A' ' 107' ' ' TRP . 8.1 tp -125.25 113.52 17.75 Favored 'General case' 0 CA--C 1.5 -0.978 1 O-C-N 130.65 4.968 . . . . 10.0 108.513 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -90.37 114.84 27.03 Favored 'General case' 0 CA--C 1.485 -1.527 0 O-C-N 124.534 1.146 . . . . 10.0 112.587 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.67 HD12 ' SG ' ' A' ' 122' ' ' CYS . 2.6 mm? -91.44 144.29 25.73 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 106.915 -1.513 . . . . 10.0 106.915 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 38.3 p -131.43 33.81 4.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 127.664 3.102 . . . . 10.0 108.76 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.67 ' SG ' HD12 ' A' ' 120' ' ' LEU . 59.7 m -58.17 152.58 16.7 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 115.241 1.571 . . . . 10.0 115.241 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . -7.48 105.74 0.01 OUTLIER Glycine 0 C--O 1.216 -0.988 1 O-C-N 130.745 5.028 . . . . 10.0 115.414 -179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 25.3 t70 27.2 45.47 0.01 OUTLIER 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 128.707 3.239 . . . . 10.0 111.828 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -174.92 84.0 0.03 OUTLIER 'General case' 0 C--O 1.198 -1.657 0 O-C-N 125.905 2.003 . . . . 10.0 107.521 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.428 ' H ' HG23 ' A' ' 126' ' ' VAL . 6.1 t -51.49 136.23 11.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 128.177 3.423 . . . . 10.0 111.634 -179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -125.91 -167.53 1.71 Allowed 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 119.006 -1.078 . . . . 10.0 108.618 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 ttm105 -154.64 90.24 1.3 Allowed 'General case' 0 CA--C 1.509 -0.612 0 C-N-CA 115.166 -2.614 . . . . 10.0 113.024 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.513 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 6.5 tp-100 -59.82 150.19 29.01 Favored 'General case' 0 CA--C 1.482 -1.642 0 C-N-CA 114.785 -2.766 . . . . 10.0 115.89 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 30.0 t -133.81 118.53 29.87 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.447 0 CA-C-O 126.398 2.999 . . . . 10.0 108.35 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.542 ' CZ ' ' HG3' ' A' ' 11' ' ' MET . 3.7 m-85 -121.47 179.31 4.48 Favored 'General case' 0 CA--C 1.492 -1.262 0 CA-C-N 109.433 -3.53 . . . . 10.0 116.505 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 1.1 ptmt -159.93 149.47 18.01 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 103.098 -2.927 . . . . 10.0 103.098 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.485 ' HG2' HD22 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.84 160.06 43.67 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 127.467 2.979 . . . . 10.0 118.468 -179.697 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.767 0 O-C-N 126.539 2.4 . . . . 10.0 114.53 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.506 2.336 0 N-CA-C 106.602 -1.629 . . . . 10.0 106.602 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 16.6 m -153.89 -53.96 0.1 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 123.949 1.833 . . . . 10.0 108.292 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.04 175.27 13.61 Favored 'General case' 0 C--N 1.365 1.244 0 CA-C-N 111.517 -2.583 . . . . 10.0 117.309 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -179.31 70.93 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 106.913 -1.514 . . . . 10.0 106.913 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.452 ' NE2' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.52 -22.54 61.79 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 114.845 -2.502 . . . . 10.0 106.455 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -76.22 136.2 39.7 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 127.661 3.101 . . . . 10.0 111.553 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.62 -144.91 6.55 Favored Glycine 0 C--O 1.203 -1.802 0 C-N-CA 117.225 -2.417 . . . . 10.0 111.304 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.59 ' OG1' HD12 ' A' ' 42' ' ' ILE . 4.3 m -158.46 146.58 18.39 Favored 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.07 4.041 . . . . 10.0 104.399 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.587 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.16 90.72 0.14 Allowed 'General case' 0 CA--C 1.496 -1.108 0 O-C-N 126.774 2.546 . . . . 10.0 117.364 -179.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.52 145.88 26.6 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.55 -1.278 . . . . 10.0 107.55 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.502 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -79.22 142.38 36.3 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 115.851 -2.023 . . . . 10.0 108.445 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.495 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 25.7 mt-10 -107.86 -68.57 0.89 Allowed 'General case' 0 C--O 1.205 -1.281 0 O-C-N 128.013 3.321 . . . . 10.0 106.57 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.268 3.9 t -160.33 -177.36 6.2 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 110.42 -3.082 . . . . 10.0 112.224 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -143.42 -173.12 3.85 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-N 109.898 -3.319 . . . . 10.0 112.391 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' PHE . 15.8 mm-40 -129.83 175.75 8.59 Favored 'General case' 0 CA--C 1.505 -0.751 0 O-C-N 127.481 2.988 . . . . 10.0 108.36 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' C ' ' CG ' ' A' ' 17' ' ' PHE . 11.9 m-20 47.4 -69.87 0.0 OUTLIER 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 127.024 2.13 . . . . 10.0 115.239 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CG ' HG22 ' A' ' 35' ' ' VAL . 3.9 m-85 80.2 -49.86 0.35 Allowed 'General case' 0 N--CA 1.443 -0.786 0 O-C-N 126.572 2.42 . . . . 10.0 113.567 179.527 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -62.0 -26.8 68.44 Favored 'General case' 0 N--CA 1.452 -0.352 0 N-CA-C 116.633 2.086 . . . . 10.0 116.633 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -78.32 -27.63 57.31 Favored Glycine 0 CA--C 1.478 -2.268 1 C-N-CA 113.479 -4.201 . . . . 10.0 109.127 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.628 ' OH ' H193 ' A' ' 135' ' ' RTL . 0.8 OUTLIER -68.67 -31.13 70.02 Favored 'General case' 0 N--CA 1.49 1.568 1 CA-C-O 128.6 4.048 . . . . 10.0 106.931 179.93 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.1 tmm? -69.66 -25.06 63.72 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 111.914 -2.403 . . . . 10.0 110.451 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.5 ttpt -79.94 -20.59 45.3 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 110.319 -3.128 . . . . 10.0 112.077 179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.97 -23.94 66.0 Favored 'General case' 0 C--O 1.201 -1.487 1 O-C-N 129.348 4.155 . . . . 10.0 112.041 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD23 ' N ' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -179.37 123.53 0.08 Allowed 'General case' 0 C--O 1.22 -0.492 2 O-C-N 132.155 5.91 . . . . 10.0 109.524 179.441 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.96 75.87 0.12 Allowed 'General case' 0 CA--C 1.498 -1.03 0 CA-C-O 128.138 3.828 . . . . 10.0 110.971 -179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.564 HD12 ' O ' ' A' ' 78' ' ' LEU . 8.4 tt -74.66 -51.52 22.23 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.963 0 CA-C-N 108.691 -3.868 . . . . 10.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 165.05 152.1 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-O 115.921 -1.99 . . . . 10.0 109.465 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -76.58 -31.47 57.55 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 127.485 2.991 . . . . 10.0 113.771 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.47 -26.36 64.54 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 112.804 -1.998 . . . . 10.0 110.538 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.3 m -59.89 -50.35 74.14 Favored 'General case' 0 C--O 1.209 -1.076 0 O-C-N 128.607 3.692 . . . . 10.0 114.951 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -68.81 -29.36 67.69 Favored 'General case' 0 CA--C 1.513 -0.444 0 O-C-N 128.26 3.475 . . . . 10.0 112.366 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.518 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.8 ttpp -71.7 -31.09 66.38 Favored 'General case' 0 CA--C 1.479 -1.788 0 O-C-N 125.436 1.71 . . . . 10.0 112.247 -179.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.612 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.6 mm -79.39 -42.6 23.32 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.66 0 CA-C-O 124.803 2.239 . . . . 10.0 107.248 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.563 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -65.39 -22.18 66.76 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 113.519 -1.673 . . . . 10.0 112.137 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG22 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -63.78 -38.58 82.7 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.491 0 CA-C-N 112.297 -2.228 . . . . 10.0 115.015 -179.798 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.505 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -120.57 -3.05 9.86 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-N 113.387 -1.733 . . . . 10.0 115.532 -179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 37' ' ' LEU . 4.2 mt -60.48 111.66 1.67 Allowed 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 126.852 2.595 . . . . 10.0 111.663 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 36' ' ' ARG . 31.9 p -93.6 -2.52 54.02 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 127.512 3.007 . . . . 10.0 109.87 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.605 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 2.1 pt20 1.66 -96.79 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 0 O-C-N 128.77 3.794 . . . . 10.0 118.069 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' A' ' 41' ' ' LYS . 4.0 m 163.73 147.64 0.01 OUTLIER 'General case' 0 C--O 1.197 -1.665 1 O-C-N 129.151 4.032 . . . . 10.0 112.227 -179.39 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.451 ' NZ ' ' C14' ' A' ' 135' ' ' RTL . 3.6 tmmm? -152.68 156.94 40.17 Favored 'General case' 0 CA--C 1.502 -0.881 0 O-C-N 127.819 3.2 . . . . 10.0 107.797 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.59 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -170.51 119.86 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 O-C-N 126.781 2.551 . . . . 10.0 111.332 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.26 42.0 mt -95.62 166.1 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.11 0 CA-C-N 111.434 -2.621 . . . . 10.0 112.154 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.533 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -168.88 82.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.803 0 C-N-CA 114.885 -2.726 . . . . 10.0 110.463 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.7 OUTLIER -82.19 170.95 14.85 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 118.262 2.69 . . . . 10.0 118.262 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -148.85 37.68 0.81 Allowed 'General case' 0 N--CA 1.481 1.12 2 O-C-N 130.859 5.1 . . . . 10.0 116.402 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 90.89 -2.63 80.02 Favored Glycine 0 C--N 1.348 1.246 0 C-N-CA 118.503 -1.808 . . . . 10.0 114.646 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 67' ' ' VAL . 0.2 OUTLIER -176.45 -73.4 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 128.401 3.059 . . . . 10.0 113.973 -179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p-10 -79.57 90.48 5.13 Favored 'General case' 0 C--N 1.346 0.429 0 O-C-N 127.188 2.805 . . . . 10.0 114.429 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.424 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 8.0 p90 -105.7 163.58 12.58 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 126.036 2.085 . . . . 10.0 113.523 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.405 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -161.13 139.36 9.62 Favored 'General case' 0 CA--C 1.479 -1.764 0 N-CA-C 117.013 2.227 . . . . 10.0 117.013 -179.857 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.4 159.35 37.27 Favored 'General case' 0 C--N 1.362 1.145 0 CA-C-N 110.183 -3.19 . . . . 10.0 113.03 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CD ' ' N ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -149.66 111.73 4.62 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 126.099 2.124 . . . . 10.0 108.96 179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.575 HG21 ' H10' ' A' ' 135' ' ' RTL . 58.6 p -71.34 136.94 48.07 Favored 'General case' 0 CA--C 1.495 -1.164 0 C-N-CA 127.36 2.264 . . . . 10.0 112.771 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.433 ' C ' ' HB2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -109.82 41.58 1.67 Allowed 'General case' 0 N--CA 1.485 1.317 0 O-C-N 118.832 -2.418 . . . . 10.0 111.223 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.605 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 1.1 m -43.18 -73.75 0.04 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 128.559 3.662 . . . . 10.0 112.0 -179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 56' ' ' SER . 21.7 p 129.71 -53.82 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.172 2 O-C-N 132.554 6.159 . . . . 10.0 102.622 -179.754 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.429 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -55.74 -61.8 2.12 Favored 'General case' 0 C--N 1.355 0.819 1 O-C-N 130.414 4.821 . . . . 10.0 112.245 -179.99 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' O ' H173 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -143.97 88.63 1.98 Allowed 'General case' 0 C--N 1.346 0.444 0 C-N-CA 118.652 -1.219 . . . . 10.0 109.816 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -56.79 137.79 54.16 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 128.813 3.82 . . . . 10.0 106.397 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -143.69 139.87 29.74 Favored 'General case' 0 CA--C 1.511 -0.538 1 O-C-N 129.252 4.095 . . . . 10.0 111.821 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.36 129.58 55.51 Favored 'General case' 0 CA--C 1.498 -1.024 0 O-C-N 126.363 2.289 . . . . 10.0 111.701 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 48.54 0.86 Allowed 'General case' 0 CA--C 1.496 -1.101 0 O-C-N 127.589 3.056 . . . . 10.0 112.783 -179.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -69.25 104.28 2.17 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 118.018 -1.473 . . . . 10.0 110.445 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.424 ' CE2' HG23 ' A' ' 87' ' ' VAL . 40.9 t80 -141.98 156.73 45.46 Favored 'General case' 0 N--CA 1.487 1.404 0 CA-C-O 125.342 2.496 . . . . 10.0 108.446 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.1 m -96.65 141.89 29.35 Favored 'General case' 0 N--CA 1.482 1.174 0 CA-C-N 112.958 -1.928 . . . . 10.0 106.12 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.653 HG23 ' O ' ' A' ' 48' ' ' ASP . 3.5 t -79.59 108.92 13.64 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.552 0 O-C-N 127.138 2.774 . . . . 10.0 115.754 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.1 -26.96 22.5 Favored Glycine 0 CA--C 1.487 -1.707 0 C-N-CA 115.877 -3.059 . . . . 10.0 116.232 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.1 t -93.68 88.11 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 N-CA-C 105.413 -2.069 . . . . 10.0 105.413 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -54.45 151.14 8.06 Favored 'General case' 0 C--N 1.361 1.076 0 CA-C-N 109.857 -3.338 . . . . 10.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -176.11 144.65 0.59 Allowed 'General case' 0 CA--C 1.506 -0.736 0 O-C-N 127.281 2.863 . . . . 10.0 115.242 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -72.15 144.11 48.7 Favored 'General case' 0 CA--C 1.483 -1.597 0 CA-C-O 124.381 2.039 . . . . 10.0 116.148 -179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -129.58 -168.13 1.9 Allowed 'General case' 0 CA--C 1.511 -0.551 0 CA-C-O 124.993 2.33 . . . . 10.0 107.479 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -145.12 121.84 11.18 Favored 'General case' 0 C--O 1.207 -1.146 0 CA-C-N 110.145 -3.207 . . . . 10.0 111.991 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.7 32.86 3.2 Favored 'General case' 0 C--O 1.198 -1.625 0 CA-C-N 111.531 -2.577 . . . . 10.0 110.389 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.455 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.2 mtmt -70.03 98.01 1.24 Allowed 'General case' 0 CA--C 1.505 -0.778 0 CA-C-O 126.987 3.28 . . . . 10.0 112.153 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.94 -32.81 2.08 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 110.374 -3.103 . . . . 10.0 110.451 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.564 ' O ' HD12 ' A' ' 26' ' ' ILE . 2.8 mp -95.52 21.19 8.51 Favored 'General case' 0 N--CA 1.449 -0.482 1 CA-C-N 107.723 -4.239 . . . . 10.0 113.511 -179.799 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 54.5 19.26 2.29 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 126.926 2.641 . . . . 10.0 113.517 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.46 ' C ' ' HG2' ' A' ' 81' ' ' ARG . . . -92.59 -44.8 3.87 Favored Glycine 0 N--CA 1.478 1.457 0 N-CA-C 111.049 -0.82 . . . . 10.0 111.049 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.46 ' HG2' ' C ' ' A' ' 80' ' ' GLY . 2.7 ptp180 46.44 9.43 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.096 0 O-C-N 129.346 3.615 . . . . 10.0 115.14 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 174.13 130.44 0.03 OUTLIER 'General case' 0 C--O 1.202 -1.407 0 CA-C-N 121.042 1.746 . . . . 10.0 110.678 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 22.5 m -155.64 165.41 1.15 Allowed 'Isoleucine or valine' 0 C--O 1.216 -0.698 0 O-C-N 128.361 3.538 . . . . 10.0 114.191 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.499 ' HD2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -140.14 99.22 3.62 Favored 'General case' 0 C--N 1.315 -0.916 1 O-C-N 133.604 6.815 . . . . 10.0 107.767 179.679 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.43 HG23 ' SG ' ' A' ' 96' ' ' CYS . 52.0 m -92.56 137.81 32.04 Favored 'General case' 0 C--O 1.212 -0.871 0 O-C-N 127.972 3.295 . . . . 10.0 117.26 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.676 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.4 tt -138.56 123.69 19.12 Favored 'General case' 0 C--O 1.213 -0.852 0 O-C-N 127.186 2.804 . . . . 10.0 108.507 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.457 HG13 ' O ' ' A' ' 94' ' ' LEU . 59.0 t -133.77 142.59 41.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.877 0 CA-C-O 122.322 1.058 . . . . 10.0 111.632 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.283 95.9 m -158.8 126.63 5.06 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-N 111.907 -2.406 . . . . 10.0 109.548 179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.421 ' CD1' HG11 ' A' ' 67' ' ' VAL . 76.6 m95 -49.18 137.77 13.27 Favored 'General case' 0 C--N 1.363 1.153 0 CA-C-O 113.678 -3.058 . . . . 10.0 105.401 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.426 ' HG3' HG21 ' A' ' 95' ' ' VAL . 0.1 OUTLIER -129.75 24.78 5.37 Favored 'General case' 0 CA--C 1.483 -1.605 2 CA-C-O 133.012 6.149 . . . . 10.0 115.763 -179.816 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.44 87.72 1.98 Allowed Glycine 0 C--O 1.203 -1.842 2 CA-C-N 107.556 -4.384 . . . . 10.0 102.252 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.3 p30 46.61 44.66 13.77 Favored 'General case' 0 N--CA 1.447 -0.624 1 O-C-N 131.951 5.147 . . . . 10.0 110.383 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.2 m -131.62 -135.61 0.2 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 114.751 -2.547 . . . . 10.0 111.413 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -179.66 -34.41 0.01 OUTLIER 'General case' 0 CA--C 1.483 -1.624 0 O-C-N 128.251 3.47 . . . . 10.0 117.123 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.484 HG12 ' O ' ' A' ' 95' ' ' VAL . 74.2 t 35.87 95.74 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.937 0 N-CA-C 117.856 2.539 . . . . 10.0 117.856 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.434 ' C ' HG22 ' A' ' 97' ' ' VAL . 49.1 t -101.75 148.76 24.89 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 127.649 3.093 . . . . 10.0 104.059 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.434 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -156.55 109.28 0.15 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.233 0 CA-C-O 126.899 3.237 . . . . 10.0 112.582 179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -88.36 171.12 10.38 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 127.355 3.455 . . . . 10.0 114.806 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.499 ' HB2' ' HD2' ' A' ' 84' ' ' LYS . 13.9 mmtt -145.07 -174.19 4.29 Favored 'General case' 0 C--O 1.196 -1.755 0 CA-C-N 108.792 -3.822 . . . . 10.0 107.745 -179.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.81 47.6 5.27 Favored Glycine 0 N--CA 1.438 -1.204 0 O-C-N 124.96 1.412 . . . . 10.0 113.292 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 108.66 -2.33 0.01 OUTLIER 'General case' 0 N--CA 1.439 -0.994 0 O-C-N 128.959 3.387 . . . . 10.0 113.741 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.25 -68.82 0.83 Allowed 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 120.064 -0.654 . . . . 10.0 111.577 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 65.03 14.86 9.64 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 116.968 2.21 . . . . 10.0 116.968 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -168.9 36.93 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.852 0 O-C-N 128.709 3.755 . . . . 10.0 108.498 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 37.3 ttt180 -107.49 88.57 2.76 Favored 'General case' 0 N--CA 1.48 1.032 0 O-C-N 125.946 2.029 . . . . 10.0 111.51 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.449 ' O ' HD23 ' A' ' 120' ' ' LEU . . . -134.67 176.11 20.12 Favored Glycine 0 C--O 1.205 -1.677 1 O-C-N 131.127 5.267 . . . . 10.0 112.075 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.881 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -147.38 129.1 15.18 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 129.388 3.64 . . . . 10.0 112.723 -179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -100.98 82.83 2.43 Favored 'General case' 0 C--N 1.36 1.049 1 O-C-N 129.867 4.48 . . . . 10.0 116.886 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.904 ' CG ' HD13 ' A' ' 118' ' ' LEU . 3.9 mt-30 -91.09 107.26 19.08 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 110.693 -2.958 . . . . 10.0 104.77 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.595 ' C ' HG23 ' A' ' 111' ' ' VAL . 0.6 OUTLIER -109.17 -11.03 14.95 Favored 'General case' 0 CA--C 1.491 -1.289 0 O-C-N 128.562 3.664 . . . . 10.0 115.598 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.595 HG23 ' C ' ' A' ' 110' ' ' TRP . 1.7 t 61.14 139.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.474 -1.948 0 CA-C-O 127.23 3.395 . . . . 10.0 118.071 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -123.78 -68.08 0.89 Allowed 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 126.972 3.272 . . . . 10.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 149.82 107.98 0.43 Allowed Glycine 0 N--CA 1.439 -1.106 0 CA-C-N 111.312 -2.676 . . . . 10.0 113.457 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 58.41 32.18 21.8 Favored 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 125.051 1.341 . . . . 10.0 111.587 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 174.84 124.29 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.636 1 O-C-N 129.202 4.064 . . . . 10.0 106.638 179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 162.09 25.71 Favored 'General case' 0 CA--C 1.496 -1.096 0 O-C-N 125.574 1.796 . . . . 10.0 111.367 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -133.35 65.26 1.59 Allowed 'General case' 0 C--O 1.207 -1.151 0 O-C-N 128.006 3.316 . . . . 10.0 108.06 179.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.904 HD13 ' CG ' ' A' ' 109' ' ' GLN . 39.2 tp -61.08 136.08 57.97 Favored 'General case' 0 N--CA 1.48 1.053 1 CA-C-N 105.278 -5.419 . . . . 10.0 107.008 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -105.43 164.75 11.63 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 104.481 -2.414 . . . . 10.0 104.481 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.565 HD11 ' CE2' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -139.46 116.65 11.14 Favored 'General case' 0 C--N 1.354 0.797 0 O-C-N 128.134 3.396 . . . . 10.0 114.069 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 67.2 p -100.25 135.21 42.03 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 110.119 -3.219 . . . . 10.0 103.153 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.298 1.4 p 175.3 85.95 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 123.972 1.844 . . . . 10.0 113.472 -179.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 115.93 -153.45 17.5 Favored Glycine 0 N--CA 1.462 0.389 0 CA-C-N 110.174 -3.194 . . . . 10.0 108.851 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.2 -33.63 70.12 Favored 'General case' 0 C--O 1.22 -0.492 0 O-C-N 126.824 2.132 . . . . 10.0 106.557 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.558 ' CG ' ' N ' ' A' ' 126' ' ' VAL . 16.3 tt0 -120.96 162.92 19.06 Favored 'General case' 0 C--O 1.207 -1.162 1 O-C-N 130.888 5.118 . . . . 10.0 104.68 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.558 ' N ' ' CG ' ' A' ' 125' ' ' GLN 0.264 0.7 OUTLIER -116.33 161.94 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.46 2 CA-C-N 107.079 -4.6 . . . . 10.0 120.004 -179.442 . . . . . . . . 5 4 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 11.4 m -127.14 -155.71 0.71 Allowed 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 106.448 -1.686 . . . . 10.0 106.448 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -158.07 141.19 15.03 Favored 'General case' 0 CA--C 1.493 -1.225 0 C-N-CA 118.316 -1.354 . . . . 10.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -94.08 179.0 5.47 Favored 'General case' 0 CA--C 1.485 -1.545 0 C-N-CA 114.314 -2.954 . . . . 10.0 115.12 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 66.7 t -158.66 103.72 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 N-CA-C 104.434 -2.432 . . . . 10.0 104.434 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.502 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.7 m-85 -120.92 169.17 10.72 Favored 'General case' 0 CA--C 1.491 -1.292 1 CA-C-N 107.88 -4.236 . . . . 10.0 114.48 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.495 ' HG2' ' HG3' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -147.47 155.9 42.35 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.316 -2.846 . . . . 10.0 103.316 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.91 167.94 26.02 Favored 'General case' 0 CA--C 1.482 -1.645 0 N-CA-C 119.155 3.021 . . . . 10.0 119.155 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.492 -1.264 0 CA-C-N 112.88 -1.963 . . . . 10.0 112.753 179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.706 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 tpp . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 108.838 -0.801 . . . . 10.0 108.838 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 54.71 -154.37 0.28 Allowed 'General case' 0 CA--C 1.508 -0.655 0 CA-C-N 113.472 -1.695 . . . . 10.0 107.473 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.505 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -84.95 -40.69 16.67 Favored 'General case' 0 C--N 1.358 0.942 0 N-CA-C 118.18 2.659 . . . . 10.0 118.18 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 45.24 60.63 2.92 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 125.006 1.441 . . . . 10.0 107.498 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.427 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -59.14 -30.66 68.31 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 126.437 2.335 . . . . 10.0 108.267 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.37 92.27 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.766 0 O-C-N 129.088 3.992 . . . . 10.0 113.407 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.52 -178.82 29.27 Favored Glycine 0 C--O 1.202 -1.852 0 O-C-N 127.235 2.834 . . . . 10.0 110.625 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.72 ' OG1' HD12 ' A' ' 42' ' ' ILE . 11.2 m -119.24 147.63 44.03 Favored 'General case' 0 C--O 1.208 -1.109 1 O-C-N 134.745 6.791 . . . . 10.0 103.992 -179.715 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.58 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -166.74 76.85 0.19 Allowed 'General case' 0 CA--C 1.487 -1.454 0 O-C-N 126.968 2.667 . . . . 10.0 111.704 -178.72 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -39.27 99.09 0.02 OUTLIER 'General case' 0 C--O 1.208 -1.087 0 O-C-N 126.544 2.402 . . . . 10.0 111.337 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . 0.282 0.6 OUTLIER -47.68 128.91 13.48 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 128.55 3.656 . . . . 10.0 104.709 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -94.24 -71.7 0.65 Allowed 'General case' 0 C--N 1.311 -1.068 1 O-C-N 132.1 5.875 . . . . 10.0 108.735 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.262 1.2 p -170.8 -173.67 1.41 Allowed 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 112.632 -2.076 . . . . 10.0 113.005 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -117.56 134.88 54.39 Favored 'General case' 0 C--O 1.206 -1.228 0 C-N-CA 128.914 2.886 . . . . 10.0 110.602 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -70.24 -42.17 72.58 Favored 'General case' 0 N--CA 1.481 1.086 1 O-C-N 130.861 5.101 . . . . 10.0 108.915 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -111.82 66.32 0.63 Allowed 'General case' 0 C--O 1.215 -0.741 0 CA-C-N 113.747 -1.57 . . . . 10.0 109.645 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -46.03 -37.31 6.52 Favored 'General case' 0 C--O 1.214 -0.809 0 CA-C-O 125.193 2.425 . . . . 10.0 109.11 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.42 -29.51 70.79 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 111.878 -2.419 . . . . 10.0 116.998 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -80.05 -21.03 66.29 Favored Glycine 0 CA--C 1.49 -1.485 1 O-C-N 129.978 4.549 . . . . 10.0 111.036 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.561 ' CE2' ' H7 ' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -70.18 -30.21 67.27 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 106.61 -1.626 . . . . 10.0 106.61 -179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.1 ttt -71.24 -49.87 38.81 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 112.612 -2.086 . . . . 10.0 111.673 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -27.78 69.08 Favored 'General case' 0 N--CA 1.467 0.413 1 O-C-N 129.148 4.03 . . . . 10.0 115.229 -179.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.69 65.47 Favored 'General case' 0 C--O 1.204 -1.325 1 O-C-N 129.377 4.173 . . . . 10.0 113.563 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.72 -156.63 0.77 Allowed 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 108.77 -3.832 . . . . 10.0 104.501 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -159.81 50.93 0.32 Allowed 'General case' 0 CA--C 1.48 -1.73 1 CA-C-O 131.871 5.605 . . . . 10.0 109.501 -179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.674 HG21 ' OG1' ' A' ' 30' ' ' THR . 7.3 mm -67.02 -69.7 0.25 Allowed 'Isoleucine or valine' 0 C--O 1.21 -0.995 1 CA-C-N 107.494 -4.412 . . . . 10.0 111.422 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.516 ' N ' HG22 ' A' ' 26' ' ' ILE . 28.4 t70 169.99 165.18 0.06 Allowed 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.181 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -62.2 -20.73 64.49 Favored 'General case' 0 C--O 1.204 -1.332 0 N-CA-C 115.129 1.529 . . . . 10.0 115.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.62 -33.27 68.06 Favored 'General case' 0 C--O 1.201 -1.469 0 C-N-CA 126.507 1.923 . . . . 10.0 111.191 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.674 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.0 OUTLIER -58.11 -51.18 70.78 Favored 'General case' 0 C--O 1.209 -1.037 0 CA-C-N 111.885 -2.416 . . . . 10.0 116.136 179.427 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.599 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -75.17 -36.88 61.46 Favored 'General case' 0 C--O 1.218 -0.573 1 O-C-N 129.242 4.088 . . . . 10.0 112.165 179.555 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.515 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 4.9 tptt -72.27 -30.11 64.53 Favored 'General case' 0 CA--C 1.489 -1.388 0 O-C-N 128.899 3.874 . . . . 10.0 113.242 -179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG21 ' HB2' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -76.82 -47.84 27.23 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.124 0 O-C-N 127.441 2.963 . . . . 10.0 108.356 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.74 -20.98 63.49 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 127.105 3.336 . . . . 10.0 112.594 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.3 t -57.57 -44.82 85.85 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 CA-C-N 110.652 -2.977 . . . . 10.0 113.048 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.44 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -108.09 -16.09 14.36 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 113.061 -1.881 . . . . 10.0 115.202 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.828 HD12 ' CG ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -62.97 133.23 54.3 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 126.851 2.595 . . . . 10.0 111.095 -179.527 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.88 64.67 0.77 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 127.976 3.297 . . . . 10.0 109.703 179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.828 ' CG ' HD12 ' A' ' 37' ' ' LEU . 1.8 mt-30 -74.59 168.12 20.41 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 126.554 2.409 . . . . 10.0 112.592 -179.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 2.6 m -108.33 156.43 19.41 Favored 'General case' 0 C--O 1.205 -1.284 0 O-C-N 126.773 2.546 . . . . 10.0 111.401 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.474 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -167.01 140.85 3.75 Favored 'General case' 0 N--CA 1.486 1.344 0 O-C-N 128.602 3.689 . . . . 10.0 107.948 -179.749 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.72 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -156.03 133.3 2.36 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.873 0 C-N-CA 118.242 -1.383 . . . . 10.0 112.546 -179.519 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.576 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.284 47.6 mt -91.83 167.98 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -0.983 1 O-C-N 129.205 4.066 . . . . 10.0 111.05 -179.983 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.54 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.5 p -167.74 55.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.433 0 O-C-N 127.157 2.786 . . . . 10.0 114.622 179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.94 144.96 1.05 Allowed 'General case' 0 C--O 1.206 -1.203 0 C-N-CA 124.759 1.224 . . . . 10.0 112.895 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -141.77 28.98 1.74 Allowed 'General case' 0 CA--C 1.5 -0.975 2 O-C-N 130.728 5.017 . . . . 10.0 114.152 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 84.83 92.67 0.77 Allowed Glycine 0 C--O 1.214 -1.095 0 CA-C-N 114.071 -1.422 . . . . 10.0 112.048 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 52.68 47.65 24.22 Favored 'General case' 0 N--CA 1.442 -0.849 0 O-C-N 128.212 2.948 . . . . 10.0 117.094 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 167.68 63.58 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.501 0 O-C-N 128.443 3.589 . . . . 10.0 110.998 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 26.1 p90 -87.04 157.99 19.31 Favored 'General case' 0 CA--C 1.5 -0.977 1 O-C-N 131.953 5.783 . . . . 10.0 113.165 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.42 ' HE2' ' HE3' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -144.78 135.49 24.65 Favored 'General case' 0 CA--C 1.48 -1.713 0 O-C-N 127.104 2.752 . . . . 10.0 114.468 -179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.11 151.0 52.03 Favored 'General case' 0 C--N 1.359 1.007 1 O-C-N 129.655 4.347 . . . . 10.0 109.793 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.42 ' HE3' ' HE2' ' A' ' 51' ' ' LYS . 0.0 OUTLIER -140.61 134.31 30.3 Favored 'General case' 0 N--CA 1.47 0.574 1 O-C-N 130.009 4.568 . . . . 10.0 105.796 -179.733 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.0 m -97.53 118.78 34.8 Favored 'General case' 0 C--O 1.222 -0.344 0 O-C-N 126.584 2.427 . . . . 10.0 110.091 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -86.88 60.3 6.14 Favored 'General case' 0 C--O 1.207 -1.156 0 CA-C-O 117.142 -1.408 . . . . 10.0 114.045 179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.407 ' HA ' ' HG2' ' A' ' 39' ' ' GLN . 2.1 t -99.38 148.49 24.14 Favored 'General case' 0 C--O 1.214 -0.79 1 O-C-N 129.959 4.537 . . . . 10.0 106.28 -179.665 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.51 -34.99 17.23 Favored 'General case' 0 N--CA 1.483 1.198 1 O-C-N 129.474 4.234 . . . . 10.0 109.246 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.592 ' HB2' HG21 ' A' ' 33' ' ' ILE . 0.3 OUTLIER -82.63 -7.15 59.66 Favored 'General case' 0 C--N 1.363 1.155 0 O-C-N 126.132 2.145 . . . . 10.0 115.907 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.745 ' HB3' H172 ' A' ' 135' ' ' RTL . 0.6 OUTLIER -177.0 95.75 0.04 OUTLIER 'General case' 0 C--O 1.217 -0.647 1 O-C-N 129.361 4.163 . . . . 10.0 113.327 179.793 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -72.96 98.49 2.5 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 110.908 -2.86 . . . . 10.0 106.287 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.416 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 6.1 t80 -123.75 154.97 38.74 Favored 'General case' 0 N--CA 1.469 0.518 1 O-C-N 130.776 5.048 . . . . 10.0 108.719 -179.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -145.78 113.32 6.31 Favored 'General case' 0 C--O 1.202 -1.419 0 O-C-N 128.222 3.451 . . . . 10.0 109.826 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.1 OUTLIER -81.31 61.44 4.81 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 111.883 -2.417 . . . . 10.0 113.471 179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -73.35 126.22 29.65 Favored 'General case' 0 CA--C 1.494 -1.175 0 N-CA-C 105.899 -1.889 . . . . 10.0 105.899 -179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.503 ' CE1' HG22 ' A' ' 85' ' ' THR . 39.1 t80 -168.08 155.89 8.49 Favored 'General case' 0 CA--C 1.49 -1.343 1 CA-C-O 128.555 4.026 . . . . 10.0 112.274 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -87.57 -171.74 3.58 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 118.451 -2.656 . . . . 10.0 109.644 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.472 ' O ' HG12 ' A' ' 67' ' ' VAL . 25.2 t -102.27 92.03 2.19 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.695 0 O-C-N 126.469 2.356 . . . . 10.0 113.685 -179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.61 -23.52 22.16 Favored Glycine 0 CA--C 1.487 -1.669 0 C-N-CA 115.251 -3.357 . . . . 10.0 116.626 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 50.9 t -78.83 86.44 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 105.611 -1.996 . . . . 10.0 105.611 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -46.14 142.25 2.9 Favored 'General case' 0 C--N 1.356 0.866 2 O-C-N 130.949 5.156 . . . . 10.0 112.959 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -153.68 121.18 5.87 Favored 'General case' 0 CA--C 1.502 -0.895 0 O-C-N 127.98 3.3 . . . . 10.0 117.104 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -52.5 95.38 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.498 0 N-CA-C 114.735 1.383 . . . . 10.0 114.735 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -82.72 -169.84 2.68 Favored 'General case' 0 CA--C 1.501 -0.926 0 C-N-CA 125.712 1.605 . . . . 10.0 110.939 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.85 131.33 16.7 Favored 'General case' 0 C--O 1.214 -0.782 0 CA-C-O 125.509 2.576 . . . . 10.0 112.589 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.5 30.37 6.07 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-N 111.908 -2.405 . . . . 10.0 111.159 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.6 mtmt -56.52 90.96 0.01 OUTLIER 'General case' 0 N--CA 1.441 -0.881 0 CA-C-O 124.969 2.318 . . . . 10.0 114.502 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.71 -26.6 3.15 Favored Glycine 0 CA--C 1.529 0.923 0 CA-C-N 112.571 -2.104 . . . . 10.0 112.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.463 ' HA ' HD11 ' A' ' 26' ' ' ILE . 1.9 mt -90.73 14.71 12.74 Favored 'General case' 0 C--O 1.241 0.618 1 O-C-N 130.607 4.357 . . . . 10.0 116.649 -179.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.54 43.78 0.57 Allowed 'General case' 0 CA--C 1.497 -1.096 0 CA-C-N 112.276 -2.238 . . . . 10.0 113.989 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -135.34 -75.06 0.08 OUTLIER Glycine 0 C--O 1.208 -1.494 0 CA-C-O 122.835 1.241 . . . . 10.0 112.239 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 68.29 24.55 7.38 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 109.09 -3.555 . . . . 10.0 113.475 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 177.98 97.33 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.209 0 CA-C-O 122.181 0.991 . . . . 10.0 112.46 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -148.01 165.0 5.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.35 0 CA-C-N 113.096 -1.865 . . . . 10.0 112.47 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.0 128.41 21.17 Favored 'General case' 0 N--CA 1.441 -0.919 1 O-C-N 129.591 4.307 . . . . 10.0 110.308 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' CE1' ' A' ' 65' ' ' PHE . 0.7 OUTLIER -106.71 146.98 30.14 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 112.044 -2.344 . . . . 10.0 116.912 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 ' O ' HD23 ' A' ' 86' ' ' LEU . 3.9 tt -150.92 124.18 8.86 Favored 'General case' 0 N--CA 1.448 -0.555 1 O-C-N 129.123 4.015 . . . . 10.0 110.607 179.737 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.569 HG23 ' HB2' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -111.94 165.58 6.85 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.137 0 CA-C-O 126.379 2.99 . . . . 10.0 109.559 -179.726 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.446 ' N ' HG13 ' A' ' 87' ' ' VAL 0.26 16.2 m -165.85 101.74 0.67 Allowed 'General case' 0 N--CA 1.483 1.179 0 CA-C-N 110.673 -2.967 . . . . 10.0 110.202 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.505 ' CZ3' ' HE3' ' A' ' 3' ' ' LYS . 49.8 m95 -49.84 105.1 0.08 Allowed 'General case' 0 N--CA 1.442 -0.841 0 N-CA-C 105.931 -1.877 . . . . 10.0 105.931 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -73.0 -36.28 67.01 Favored 'General case' 0 CA--C 1.487 -1.449 1 CA-C-O 129.727 4.584 . . . . 10.0 114.163 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 150.24 93.24 0.1 Allowed Glycine 0 C--O 1.197 -2.193 0 CA-C-N 110.343 -3.117 . . . . 10.0 107.675 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 t30 78.01 9.42 2.26 Favored 'General case' 0 N--CA 1.433 -1.316 1 O-C-N 131.814 5.067 . . . . 10.0 107.056 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.8 m -116.22 -134.98 0.35 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.845 -2.026 . . . . 10.0 113.328 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.464 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 1.7 pp -171.86 -45.01 0.02 OUTLIER 'General case' 0 C--O 1.203 -1.368 0 O-C-N 127.199 2.812 . . . . 10.0 112.983 -179.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 58.1 t 43.18 91.64 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.357 0 CA-C-N 111.012 -2.813 . . . . 10.0 117.526 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.569 ' HB2' HG23 ' A' ' 87' ' ' VAL . 11.3 t -103.19 156.05 17.98 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 127.124 2.765 . . . . 10.0 103.736 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -154.1 127.65 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 O-C-N 127.944 3.277 . . . . 10.0 111.01 179.723 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' ARG 0.263 4.5 tt0 -100.01 153.0 19.56 Favored 'General case' 0 C--O 1.213 -0.834 0 CA-C-O 126.685 3.136 . . . . 10.0 113.087 179.694 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -137.23 -179.33 5.66 Favored 'General case' 0 C--O 1.207 -1.172 0 CA-C-N 108.66 -3.882 . . . . 10.0 109.352 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 121.0 -75.71 0.33 Allowed Glycine 0 C--O 1.213 -1.194 0 CA-C-O 126.511 3.284 . . . . 10.0 106.843 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -136.24 14.1 3.27 Favored 'General case' 0 C--O 1.216 -0.688 1 CA-C-N 106.654 -4.773 . . . . 10.0 112.03 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.1 -59.56 1.8 Allowed 'General case' 0 C--O 1.214 -0.811 0 N-CA-C 114.189 1.181 . . . . 10.0 114.189 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 32.3 86.98 0.01 OUTLIER 'General case' 0 N--CA 1.434 -1.252 0 O-C-N 128.568 3.667 . . . . 10.0 113.208 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 118.91 23.19 0.0 OUTLIER 'General case' 0 C--O 1.244 0.814 2 O-C-N 133.436 6.71 . . . . 10.0 110.245 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.442 ' HB3' ' CB ' ' A' ' 98' ' ' GLN . 0.1 OUTLIER -94.9 70.21 3.36 Favored 'General case' 0 C--O 1.202 -1.432 0 CA-C-N 120.866 1.666 . . . . 10.0 109.818 -179.859 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -122.8 152.54 16.88 Favored Glycine 0 CA--C 1.535 1.291 2 O-C-N 131.874 5.734 . . . . 10.0 111.997 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.792 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.94 141.44 48.1 Favored 'General case' 0 N--CA 1.426 -1.646 1 O-C-N 130.255 4.15 . . . . 10.0 113.848 -179.921 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -127.54 79.56 1.9 Allowed 'General case' 0 C--N 1.36 1.04 0 O-C-N 128.656 3.723 . . . . 10.0 112.074 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.664 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -104.12 106.39 16.87 Favored 'General case' 0 C--N 1.362 1.133 0 N-CA-C 104.658 -2.349 . . . . 10.0 104.658 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.486 ' C ' HG23 ' A' ' 111' ' ' VAL . 9.7 p90 -95.49 -9.15 33.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 116.136 1.902 . . . . 10.0 116.136 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.689 HG22 HD11 ' A' ' 116' ' ' LEU . 2.8 t 60.5 134.81 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.411 0 N-CA-C 117.229 2.307 . . . . 10.0 117.229 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -130.19 -2.86 4.48 Favored 'General case' 0 CA--C 1.488 -1.405 0 CA-C-N 112.497 -2.138 . . . . 10.0 115.653 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.55 97.16 1.29 Allowed Glycine 0 C--O 1.208 -1.476 0 O-C-N 119.98 -1.7 . . . . 10.0 113.506 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 57.42 49.04 13.61 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 116.563 2.06 . . . . 10.0 116.563 -179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.3 tptt 166.78 125.32 0.01 OUTLIER 'General case' 0 CA--C 1.5 -0.951 1 O-C-N 130.914 5.134 . . . . 10.0 105.443 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.689 HD11 HG22 ' A' ' 111' ' ' VAL . 0.1 OUTLIER -137.49 148.71 46.25 Favored 'General case' 0 CA--C 1.485 -1.546 0 O-C-N 125.763 1.915 . . . . 10.0 112.549 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -124.42 82.46 2.04 Favored 'General case' 0 C--O 1.205 -1.286 2 O-C-N 129.495 4.247 . . . . 10.0 110.738 179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.792 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.2 tp -83.44 106.43 15.19 Favored 'General case' 0 N--CA 1.477 0.908 1 CA-C-N 106.638 -4.801 . . . . 10.0 107.644 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.1 114.3 20.55 Favored 'General case' 0 CA--C 1.49 -1.339 0 CA-C-O 117.554 -1.212 . . . . 10.0 111.919 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.6 mm? -97.02 146.3 25.13 Favored 'General case' 0 N--CA 1.48 1.035 0 O-C-N 125.497 1.748 . . . . 10.0 108.126 179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.1 p -129.71 13.53 5.89 Favored 'General case' 0 C--O 1.206 -1.198 0 O-C-N 125.672 1.857 . . . . 10.0 108.957 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 31.4 p -76.97 151.29 35.73 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 124.049 1.88 . . . . 10.0 111.914 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 61.49 107.51 0.01 OUTLIER Glycine 0 N--CA 1.44 -1.054 0 CA-C-N 110.551 -3.022 . . . . 10.0 114.918 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 39.71 -75.56 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 129.658 3.183 . . . . 10.0 112.439 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -86.6 -157.63 0.37 Allowed 'General case' 0 N--CA 1.475 0.818 0 O-C-N 127.106 2.754 . . . . 10.0 109.504 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 54.7 t -117.16 149.47 19.42 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 CA-C-N 114.426 -1.261 . . . . 10.0 113.94 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.3 m -130.79 -164.93 1.49 Allowed 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 119.842 1.201 . . . . 10.0 107.799 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -151.42 101.38 2.81 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 116.212 -2.195 . . . . 10.0 111.138 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.52 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.1 OUTLIER -68.49 142.79 55.19 Favored 'General case' 0 CA--C 1.506 -0.718 0 O-C-N 127.503 3.002 . . . . 10.0 112.282 -179.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.99 126.45 74.49 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.106 0 N-CA-C 104.093 -2.558 . . . . 10.0 104.093 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.465 ' HB2' ' HB3' ' A' ' 116' ' ' LEU . 3.0 m-85 -131.15 149.36 52.62 Favored 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 109.265 -3.607 . . . . 10.0 109.783 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.496 ' HG2' ' N ' ' A' ' 133' ' ' LYS 0.287 0.0 OUTLIER -160.53 160.21 31.63 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-O 113.587 -3.102 . . . . 10.0 107.376 -178.988 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.503 ' HG3' ' CD ' ' A' ' 134' ' ' LYS . 8.0 ttpt 121.36 -111.52 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 133.97 7.044 . . . . 10.0 117.72 179.139 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.503 ' CD ' ' HG3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.265 1.881 0 N-CA-C 117.933 2.568 . . . . 10.0 117.933 -178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.745 H172 ' HB3' ' A' ' 59' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 109.204 -0.665 . . . . 10.0 109.204 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.54 179.08 5.87 Favored 'General case' 0 C--O 1.205 -1.27 0 N-CA-C 106.045 -1.835 . . . . 10.0 106.045 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.439 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -64.91 -83.24 0.02 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 115.291 -2.564 . . . . 10.0 112.379 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 74.57 101.58 0.07 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 120.743 -1.223 . . . . 10.0 108.33 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.557 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 22.4 mm-40 -72.55 -59.96 2.47 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 103.576 -2.75 . . . . 10.0 103.576 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -22.76 104.96 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.769 0 O-C-N 128.361 3.538 . . . . 10.0 114.276 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.71 171.24 43.83 Favored Glycine 0 C--O 1.205 -1.682 0 CA-C-O 116.591 -2.227 . . . . 10.0 110.18 179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.566 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.4 m -115.31 154.7 28.66 Favored 'General case' 0 N--CA 1.479 0.975 1 O-C-N 134.782 6.813 . . . . 10.0 105.295 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.741 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -170.72 77.68 0.08 Allowed 'General case' 0 CA--C 1.489 -1.382 0 O-C-N 125.739 1.899 . . . . 10.0 112.605 -179.076 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -57.46 109.04 0.62 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 127.122 2.764 . . . . 10.0 107.426 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.2 mtp -53.82 167.76 0.24 Allowed 'General case' 0 CA--C 1.54 0.571 0 O-C-N 127.052 2.72 . . . . 10.0 109.844 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -121.65 -58.19 1.77 Allowed 'General case' 0 C--O 1.216 -0.706 1 O-C-N 130.865 5.103 . . . . 10.0 111.826 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.286 1.2 m -164.94 -179.36 5.72 Favored 'General case' 0 N--CA 1.43 -1.47 0 CA-C-O 124.064 1.888 . . . . 10.0 111.777 179.817 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.454 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.1 OUTLIER -146.04 84.82 1.66 Allowed 'General case' 0 C--O 1.205 -1.278 1 CA-C-N 107.188 -4.551 . . . . 10.0 109.601 179.402 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -16.53 -74.29 0.01 OUTLIER 'General case' 0 CA--C 1.484 -1.571 2 O-C-N 134.755 7.534 . . . . 10.0 114.626 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -84.11 80.12 9.29 Favored 'General case' 0 C--O 1.197 -1.663 0 O-C-N 119.739 -1.851 . . . . 10.0 110.88 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -52.45 -33.57 44.92 Favored 'General case' 0 C--O 1.214 -0.771 0 CA-C-O 125.502 2.573 . . . . 10.0 113.304 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' OE1' ' NH1' ' A' ' 31' ' ' ARG 0.262 3.2 mm-40 -72.02 -42.97 65.76 Favored 'General case' 0 CA--C 1.508 -0.643 0 CA-C-N 112.127 -2.306 . . . . 10.0 115.574 179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.74 -25.99 74.92 Favored Glycine 0 C--N 1.351 1.411 0 N-CA-C 107.967 -2.053 . . . . 10.0 107.967 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.453 ' O ' HD21 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -61.48 -41.32 97.09 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 127.606 2.591 . . . . 10.0 107.95 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.0 ttp -77.55 -40.16 43.43 Favored 'General case' 0 CA--C 1.487 -1.459 0 CA-C-N 108.795 -3.821 . . . . 10.0 112.116 179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -27.31 64.9 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 130.0 3.32 . . . . 10.0 116.344 -179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.556 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.03 -21.82 59.71 Favored 'General case' 0 C--O 1.204 -1.323 0 O-C-N 127.791 3.182 . . . . 10.0 114.765 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.846 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -142.3 -168.63 2.77 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 128.729 3.768 . . . . 10.0 104.909 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.15 62.75 1.39 Allowed 'General case' 0 C--O 1.2 -1.517 1 CA-C-O 129.2 4.334 . . . . 10.0 106.382 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.846 ' HB ' HD12 ' A' ' 24' ' ' LEU . 3.5 tt -72.44 -55.35 13.44 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.078 0 CA-C-N 109.255 -3.612 . . . . 10.0 113.772 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.412 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.6 OUTLIER 163.17 156.61 0.02 OUTLIER 'General case' 0 C--O 1.219 -0.515 0 CA-C-O 117.29 -1.338 . . . . 10.0 113.197 -179.649 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.75 -20.92 48.81 Favored 'General case' 0 C--O 1.205 -1.265 0 O-C-N 127.41 2.944 . . . . 10.0 114.941 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -78.62 -28.46 45.62 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 123.32 1.534 . . . . 10.0 109.231 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 ' HA ' ' CE2' ' A' ' 58' ' ' PHE . 89.8 m -58.08 -53.95 52.44 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-N 112.289 -2.232 . . . . 10.0 115.915 -179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.526 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -69.09 -20.31 64.07 Favored 'General case' 0 C--N 1.33 -0.281 1 O-C-N 129.257 4.098 . . . . 10.0 112.405 -179.994 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.4 -35.96 53.76 Favored 'General case' 0 CA--C 1.496 -1.124 0 O-C-N 127.531 3.019 . . . . 10.0 110.735 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.603 ' O ' HD23 ' A' ' 37' ' ' LEU . 4.8 mm -79.69 -29.86 13.25 Favored 'Isoleucine or valine' 0 C--O 1.195 -1.813 0 CA-C-N 110.804 -2.907 . . . . 10.0 107.617 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.588 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -77.4 -20.58 54.43 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-O 126.689 3.137 . . . . 10.0 113.631 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.1 t -66.78 -37.32 79.23 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.457 0 CA-C-N 110.027 -3.26 . . . . 10.0 116.017 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.49 -15.78 14.13 Favored 'General case' 0 C--O 1.211 -0.953 0 CA-C-N 109.561 -3.472 . . . . 10.0 114.654 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.603 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.3 OUTLIER -66.33 142.41 57.65 Favored 'General case' 0 C--N 1.321 -0.66 0 O-C-N 127.633 3.083 . . . . 10.0 109.168 -179.687 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -94.9 21.31 7.74 Favored 'General case' 0 N--CA 1.481 1.112 0 O-C-N 127.944 3.278 . . . . 10.0 111.39 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.422 ' NE2' H163 ' A' ' 135' ' ' RTL . 17.2 mt-30 2.63 85.73 0.0 OUTLIER 'General case' 0 C--N 1.313 -1.018 1 O-C-N 129.144 4.027 . . . . 10.0 117.487 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.1 m -71.69 129.43 38.67 Favored 'General case' 0 C--N 1.321 -0.637 1 O-C-N 131.8 5.687 . . . . 10.0 109.481 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' C ' HG22 ' A' ' 42' ' ' ILE 0.267 0.0 OUTLIER -155.92 166.63 32.9 Favored 'General case' 0 N--CA 1.482 1.169 1 O-C-N 131.195 5.309 . . . . 10.0 106.986 -179.299 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.5 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -162.29 119.47 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 C-N-CA 113.0 -3.48 . . . . 10.0 110.796 -179.613 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.255 13.4 mt -85.14 166.67 2.0 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.216 0 CA-C-N 110.956 -2.838 . . . . 10.0 111.315 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 44' ' ' VAL . 15.0 p -170.07 99.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.192 -1.948 0 O-C-N 127.429 2.956 . . . . 10.0 112.544 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' HG2' ' N ' ' A' ' 46' ' ' ASP . 45.1 tt0 -97.86 145.93 25.93 Favored 'General case' 0 C--O 1.211 -0.931 0 N-CA-C 117.325 2.343 . . . . 10.0 117.325 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' N ' ' HG2' ' A' ' 45' ' ' GLN . 0.6 OUTLIER -120.67 -23.31 6.05 Favored 'General case' 0 CA--C 1.506 -0.737 2 O-C-N 131.471 5.482 . . . . 10.0 115.642 179.974 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.34 87.45 0.17 Allowed Glycine 0 C--O 1.208 -1.477 0 C-N-CA 118.691 -1.719 . . . . 10.0 112.897 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 82.92 -7.93 1.19 Allowed 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 128.625 3.191 . . . . 10.0 114.4 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -145.55 114.93 7.14 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 129.837 3.255 . . . . 10.0 109.705 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.1 p90 -128.44 170.55 13.0 Favored 'General case' 0 CA--C 1.496 -1.112 0 O-C-N 128.846 3.841 . . . . 10.0 113.419 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.42 139.61 24.44 Favored 'General case' 0 CA--C 1.48 -1.734 0 C-N-CA 117.314 -1.754 . . . . 10.0 114.775 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.42 ' OG1' ' NZ ' ' A' ' 41' ' ' LYS 0.292 0.0 OUTLIER -142.01 -176.06 4.65 Favored 'General case' 0 CA--C 1.493 -1.212 0 O-C-N 127.788 3.18 . . . . 10.0 109.981 179.823 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' N ' ' OG1' ' A' ' 52' ' ' THR . 0.0 OUTLIER -179.53 139.49 0.14 Allowed 'General case' 0 C--O 1.211 -0.958 0 N-CA-C 105.944 -1.873 . . . . 10.0 105.944 179.685 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -95.78 137.37 34.95 Favored 'General case' 0 C--N 1.315 -0.914 1 O-C-N 129.961 4.538 . . . . 10.0 113.714 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -110.55 46.14 1.07 Allowed 'General case' 0 C--O 1.211 -0.937 0 CA-C-N 113.315 -1.766 . . . . 10.0 113.7 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.482 ' OG ' H162 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -76.87 -13.71 59.97 Favored 'General case' 0 C--N 1.321 -0.659 1 O-C-N 129.49 4.244 . . . . 10.0 109.402 -179.806 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.406 ' HG1' ' C ' ' A' ' 56' ' ' SER . 76.2 p 67.78 -70.53 0.12 Allowed 'General case' 0 N--CA 1.477 0.922 1 O-C-N 131.789 5.681 . . . . 10.0 107.444 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.493 ' CE2' ' HA ' ' A' ' 30' ' ' THR . 0.1 OUTLIER -31.53 -46.71 0.11 Allowed 'General case' 0 N--CA 1.472 0.668 1 O-C-N 129.5 4.25 . . . . 10.0 115.984 -179.982 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.78 -67.19 1.01 Allowed 'General case' 0 C--N 1.357 0.914 0 O-C-N 127.759 3.162 . . . . 10.0 115.505 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 80.72 108.09 0.07 Allowed 'General case' 0 N--CA 1.44 -0.96 1 O-C-N 129.444 4.215 . . . . 10.0 108.802 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.551 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 0.5 OUTLIER -101.25 -141.68 0.34 Allowed 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 125.872 1.982 . . . . 10.0 111.659 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.411 ' HA ' ' HA ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER 179.38 -29.4 0.01 OUTLIER 'General case' 0 C--O 1.199 -1.564 0 O-C-N 125.914 2.008 . . . . 10.0 114.853 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' CD2' ' CE2' ' A' ' 61' ' ' TYR . 0.3 OUTLIER 34.5 28.91 0.01 OUTLIER 'General case' 0 CA--C 1.505 -0.764 0 N-CA-C 118.338 2.718 . . . . 10.0 118.338 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -61.03 105.24 0.45 Allowed 'General case' 0 CA--C 1.498 -1.057 0 O-C-N 120.575 -1.328 . . . . 10.0 107.594 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CG ' ' N ' ' A' ' 66' ' ' THR . 70.7 t80 -133.42 152.91 51.96 Favored 'General case' 0 CA--C 1.495 -1.152 0 CA-C-O 127.764 3.65 . . . . 10.0 113.025 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.472 ' N ' ' CG ' ' A' ' 65' ' ' PHE . 27.0 m -98.88 98.09 9.21 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 118.684 -2.51 . . . . 10.0 108.592 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 67' ' ' VAL . 2.0 t -41.75 124.4 0.51 Allowed 'Isoleucine or valine' 0 C--O 1.208 -1.079 0 O-C-N 127.592 3.058 . . . . 10.0 115.702 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.23 -15.98 19.79 Favored Glycine 0 N--CA 1.482 1.707 1 O-C-N 130.026 4.579 . . . . 10.0 115.087 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 69' ' ' VAL 0.257 23.8 t -115.03 100.2 10.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.749 0 C-N-CA 118.697 -1.201 . . . . 10.0 108.419 -179.806 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 86' ' ' LEU . 26.2 tt0 -43.18 147.26 0.37 Allowed 'General case' 0 C--N 1.348 0.542 1 O-C-N 131.525 5.515 . . . . 10.0 110.58 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -169.06 116.67 0.64 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 126.645 2.466 . . . . 10.0 117.471 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -42.43 116.98 0.92 Allowed 'General case' 0 C--O 1.202 -1.419 0 C-N-CA 125.119 1.367 . . . . 10.0 108.449 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -47.76 6.56 Favored 'General case' 0 CA--C 1.489 -1.367 0 O-C-N 126.498 2.374 . . . . 10.0 114.21 -179.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.596 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 73.93 100.25 0.07 Allowed 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 126.564 3.078 . . . . 10.0 108.601 -179.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.538 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -73.57 -4.55 34.75 Favored 'General case' 0 C--O 1.203 -1.378 0 CA-C-N 108.472 -3.967 . . . . 10.0 112.773 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.596 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 2.9 mtpt -34.28 107.26 0.05 OUTLIER 'General case' 0 C--O 1.217 -0.63 1 O-C-N 130.067 4.605 . . . . 10.0 112.103 179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.2 -36.91 2.58 Favored Glycine 0 N--CA 1.474 1.188 0 CA-C-N 111.332 -2.667 . . . . 10.0 110.075 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.76 21.12 8.84 Favored 'General case' 0 C--N 1.348 0.543 0 CA-C-N 110.294 -2.953 . . . . 10.0 114.745 179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 52.87 31.26 10.42 Favored 'General case' 0 CA--C 1.496 -1.109 0 CA-C-N 110.484 -3.053 . . . . 10.0 114.122 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.538 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -92.28 -43.53 4.31 Favored Glycine 0 C--O 1.21 -1.395 0 CA-C-O 124.005 1.891 . . . . 10.0 110.598 179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 75.91 -16.79 0.57 Allowed 'General case' 0 CA--C 1.495 -1.165 1 CA-C-N 107.661 -4.27 . . . . 10.0 115.427 179.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 171.82 124.11 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.328 0 CA-C-O 116.811 -1.566 . . . . 10.0 113.999 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.4 m -152.06 164.83 2.08 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 126.555 2.409 . . . . 10.0 112.432 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.463 ' HG2' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -135.95 96.55 3.43 Favored 'General case' 0 C--N 1.324 -0.5 1 O-C-N 131.38 5.425 . . . . 10.0 109.927 -179.617 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.1 m -74.8 139.63 43.42 Favored 'General case' 0 C--O 1.218 -0.594 0 CA-C-N 109.855 -3.339 . . . . 10.0 116.474 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 70' ' ' GLU . 0.4 OUTLIER -139.29 112.87 8.37 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 111.103 -2.771 . . . . 10.0 112.966 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 94' ' ' LEU . 43.0 t -112.29 141.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 C-N-CA 124.997 1.319 . . . . 10.0 108.048 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.4 p -153.66 115.5 4.27 Favored 'General case' 0 CA--C 1.488 -1.427 0 O-C-N 127.287 2.867 . . . . 10.0 112.062 -179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.439 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 96.0 m95 -49.97 154.86 1.01 Allowed 'General case' 0 C--O 1.22 -0.472 0 CA-C-O 114.855 -2.498 . . . . 10.0 109.978 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -165.95 59.89 0.11 Allowed 'General case' 0 C--O 1.195 -1.81 2 O-C-N 133.113 6.508 . . . . 10.0 117.106 179.845 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 86.12 57.29 2.15 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 103.437 -3.865 . . . . 10.0 103.437 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 64.68 27.28 13.18 Favored 'General case' 0 N--CA 1.434 -1.253 0 O-C-N 129.438 3.669 . . . . 10.0 110.337 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 95' ' ' VAL . 1.1 m -130.76 100.03 5.14 Favored 'General case' 0 C--O 1.216 -0.677 0 C-N-CA 126.394 1.878 . . . . 10.0 113.145 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.533 ' O ' HG13 ' A' ' 87' ' ' VAL . 0.9 OUTLIER -43.85 -25.63 0.21 Allowed 'General case' 0 CA--C 1.496 -1.099 0 C-N-CA 131.017 3.727 . . . . 10.0 117.678 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 93' ' ' THR . 90.7 t 26.57 92.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.352 0.683 0 O-C-N 127.21 2.819 . . . . 10.0 114.765 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.468 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.0 t -92.29 164.73 13.42 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 125.97 2.044 . . . . 10.0 105.945 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.468 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -163.0 99.17 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 C-N-CA 129.243 3.017 . . . . 10.0 116.169 179.715 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -78.49 152.89 31.8 Favored 'General case' 0 CA--C 1.509 -0.604 0 CA-C-O 125.911 2.767 . . . . 10.0 115.497 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.463 ' HB2' ' HG2' ' A' ' 84' ' ' LYS . 5.3 mmtp -137.02 167.89 20.65 Favored 'General case' 0 CA--C 1.498 -1.019 0 CA-C-N 108.61 -3.905 . . . . 10.0 107.733 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 88.03 66.93 1.3 Allowed Glycine 0 C--O 1.198 -2.132 0 O-C-N 127.437 2.961 . . . . 10.0 109.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 89.6 1.37 0.25 Allowed 'General case' 0 C--O 1.218 -0.554 2 O-C-N 130.951 4.559 . . . . 10.0 108.502 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.95 -89.69 0.38 Allowed 'General case' 0 C--O 1.218 -0.577 0 O-C-N 124.693 1.246 . . . . 10.0 110.397 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 74.57 7.95 4.43 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 126.319 2.262 . . . . 10.0 116.494 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -165.62 42.83 0.07 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 128.149 3.406 . . . . 10.0 108.568 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.13 84.68 2.31 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 124.861 2.267 . . . . 10.0 109.759 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -128.88 137.77 9.84 Favored Glycine 0 C--N 1.339 0.745 1 CA-C-N 106.66 -4.791 . . . . 10.0 117.104 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.81 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.288 0.0 OUTLIER -103.05 139.78 38.15 Favored 'General case' 0 N--CA 1.439 -0.998 1 O-C-N 130.547 4.322 . . . . 10.0 113.976 179.948 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -128.94 75.56 1.66 Allowed 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 109.966 -3.288 . . . . 10.0 111.802 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.718 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -96.11 96.87 9.14 Favored 'General case' 0 N--CA 1.491 1.603 1 CA-C-N 107.786 -4.279 . . . . 10.0 102.713 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . . . . . . . . . 7.9 p90 -94.03 2.11 56.11 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 116.129 -2.228 . . . . 10.0 116.811 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t 57.24 117.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.563 1 CA-C-O 129.022 4.248 . . . . 10.0 116.394 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -122.77 9.08 9.45 Favored 'General case' 0 CA--C 1.497 -1.095 0 CA-C-N 109.355 -3.566 . . . . 10.0 111.836 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 71.57 112.53 0.05 OUTLIER Glycine 0 C--O 1.199 -2.041 0 N-CA-C 117.223 1.649 . . . . 10.0 117.223 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 43.75 42.4 4.32 Favored 'General case' 0 N--CA 1.438 -1.072 0 N-CA-C 116.582 2.067 . . . . 10.0 116.582 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.43 ' H ' HD23 ' A' ' 116' ' ' LEU . 0.5 OUTLIER 156.79 91.64 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 2 O-C-N 134.254 7.221 . . . . 10.0 106.273 -179.954 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.741 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -105.27 165.82 10.85 Favored 'General case' 0 N--CA 1.489 1.513 1 O-C-N 129.936 4.523 . . . . 10.0 109.562 179.67 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -124.49 74.75 1.35 Allowed 'General case' 0 C--O 1.208 -1.104 1 O-C-N 129.316 4.135 . . . . 10.0 110.868 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.81 HD11 ' CB ' ' A' ' 107' ' ' TRP . 34.7 tp -70.69 135.95 48.67 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 108.98 -3.736 . . . . 10.0 106.691 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -122.46 103.58 8.81 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 127.28 2.862 . . . . 10.0 110.873 -179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.552 HD12 ' NE2' ' A' ' 129' ' ' GLN . 8.8 mt -90.84 128.18 36.63 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 115.368 -2.533 . . . . 10.0 109.915 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 36.3 p -102.99 18.78 20.83 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-N 109.593 -3.458 . . . . 10.0 105.528 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -51.64 156.42 1.36 Allowed 'General case' 0 CA--C 1.494 -1.182 0 CA-C-N 119.262 0.937 . . . . 10.0 111.178 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.33 -116.51 2.3 Favored Glycine 0 CA--C 1.527 0.813 0 O-C-N 127.254 2.846 . . . . 10.0 111.84 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -143.64 151.16 39.79 Favored 'General case' 0 C--O 1.211 -0.94 0 CA-C-N 111.729 -2.235 . . . . 10.0 106.575 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 68.98 71.26 0.27 Allowed 'General case' 0 C--O 1.212 -0.9 1 O-C-N 130.693 4.995 . . . . 10.0 108.676 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . 0.263 79.1 t -30.72 125.05 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.436 -1.143 1 O-C-N 130.226 4.704 . . . . 10.0 116.029 -179.783 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.6 118.26 36.58 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 104.263 -2.495 . . . . 10.0 104.263 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.4 ttm-85 -82.7 113.45 20.38 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 116.044 -2.263 . . . . 10.0 109.353 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.605 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -68.53 163.04 24.4 Favored 'General case' 0 CA--C 1.482 -1.647 0 C-N-CA 112.989 -3.484 . . . . 10.0 116.137 -178.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.404 ' N ' ' O ' ' A' ' 13' ' ' SER . 1.6 t -143.72 101.57 0.73 Allowed 'Isoleucine or valine' 0 C--O 1.203 -1.347 0 CA-C-O 126.381 2.991 . . . . 10.0 109.002 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.41 ' CE1' HD23 ' A' ' 118' ' ' LEU . 5.1 m-85 -101.81 176.39 5.23 Favored 'General case' 0 CA--C 1.493 -1.237 0 CA-C-N 109.155 -3.657 . . . . 10.0 111.365 179.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.6 pttt -177.6 -164.14 0.09 Allowed 'General case' 0 N--CA 1.48 1.07 0 CA-C-O 114.346 -2.74 . . . . 10.0 105.4 179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 134' ' ' LYS . 8.1 tttt 77.45 -104.76 0.02 OUTLIER 'General case' 0 CA--C 1.49 -1.352 1 O-C-N 133.692 6.87 . . . . 10.0 117.582 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.459 ' HG2' ' HG2' ' A' ' 133' ' ' LYS . 11.7 mmmm . . . . . 0 C--O 1.257 1.455 0 CA-C-O 112.568 -3.587 . . . . 10.0 111.945 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.759 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.7 ttm . . . . . 0 N--CA 1.505 2.293 0 N-CA-C 106.643 -1.614 . . . . 10.0 106.643 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.7 m -122.45 -49.46 2.03 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.094 -1.817 . . . . 10.0 106.094 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.465 ' HG3' ' CH2' ' A' ' 89' ' ' TRP . 4.2 pttt -135.3 31.9 3.15 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 116.974 -1.89 . . . . 10.0 114.857 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.66 109.57 0.26 Allowed 'General case' 0 C--O 1.215 -0.737 0 N-CA-C 107.67 -1.233 . . . . 10.0 107.67 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 0.1 OUTLIER -75.23 -81.26 0.08 Allowed 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 114.238 -2.792 . . . . 10.0 106.672 -179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 2.87 96.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.424 1 O-C-N 129.253 4.095 . . . . 10.0 116.119 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.47 -150.36 5.85 Favored Glycine 0 C--O 1.203 -1.828 0 CA-C-N 111.731 -2.486 . . . . 10.0 114.949 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.482 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.0 m -140.58 148.14 40.5 Favored 'General case' 0 C--N 1.316 -0.864 1 O-C-N 131.162 4.684 . . . . 10.0 103.983 -179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.931 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.291 0.0 OUTLIER -154.51 70.27 0.78 Allowed 'General case' 0 CA--C 1.503 -0.86 1 O-C-N 129.933 4.521 . . . . 10.0 116.517 -179.426 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.58 108.08 0.27 Allowed 'General case' 0 N--CA 1.487 1.415 0 O-C-N 127.071 2.732 . . . . 10.0 107.078 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.536 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -52.64 167.36 0.15 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 125.943 2.027 . . . . 10.0 110.551 -179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -129.42 -52.86 1.18 Allowed 'General case' 0 CA--C 1.509 -0.63 0 O-C-N 128.422 3.576 . . . . 10.0 111.14 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.265 5.1 m -158.22 171.66 19.8 Favored 'General case' 0 N--CA 1.437 -1.103 0 CA-C-O 126.32 2.962 . . . . 10.0 113.678 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.441 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -137.55 113.79 10.06 Favored 'General case' 0 C--O 1.205 -1.277 1 CA-C-N 107.636 -4.347 . . . . 10.0 110.509 179.541 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -63.32 -73.07 0.12 Allowed 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 128.703 3.752 . . . . 10.0 113.607 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.455 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.2 m-20 -82.37 84.03 7.28 Favored 'General case' 0 C--O 1.212 -0.876 0 CA-C-N 114.57 -1.195 . . . . 10.0 109.086 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.601 ' CG ' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -67.12 -38.42 85.56 Favored 'General case' 0 C--O 1.213 -0.859 0 CA-C-O 126.335 2.969 . . . . 10.0 109.615 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.23 -20.79 61.5 Favored 'General case' 0 N--CA 1.432 -1.342 0 CA-C-N 111.56 -2.564 . . . . 10.0 117.339 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.41 -23.11 77.88 Favored Glycine 0 CA--C 1.482 -1.989 1 O-C-N 130.188 4.68 . . . . 10.0 110.594 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.506 ' CE1' ' CD1' ' A' ' 120' ' ' LEU . 16.0 m-85 -73.29 -35.88 66.21 Favored 'General case' 0 C--O 1.207 -1.137 0 CA-C-O 124.62 2.153 . . . . 10.0 108.362 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -31.19 66.67 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 111.36 -2.654 . . . . 10.0 112.27 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -79.34 -30.59 42.76 Favored 'General case' 0 C--O 1.206 -1.198 1 O-C-N 130.738 5.024 . . . . 10.0 113.25 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.62 -26.02 50.26 Favored 'General case' 0 C--O 1.206 -1.208 2 O-C-N 132.251 5.969 . . . . 10.0 112.723 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD21 ' O ' ' A' ' 78' ' ' LEU 0.299 28.0 tp -149.39 100.29 3.0 Favored 'General case' 0 N--CA 1.472 0.635 2 O-C-N 131.957 5.785 . . . . 10.0 109.831 -179.312 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -64.79 82.08 0.04 OUTLIER 'General case' 0 C--O 1.202 -1.44 1 CA-C-O 129.496 4.474 . . . . 10.0 107.908 179.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.549 HD13 HG21 ' A' ' 30' ' ' THR . 8.9 tt -98.58 -49.53 11.59 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 CA-C-N 110.453 -3.067 . . . . 10.0 111.987 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.491 ' OD2' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER 160.71 138.85 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 CA-C-N 112.394 -2.185 . . . . 10.0 108.55 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -63.5 -20.16 65.37 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.491 ' HB3' ' OD2' ' A' ' 27' ' ' ASP . . . -78.27 -23.6 47.17 Favored 'General case' 0 CA--C 1.497 -1.092 0 C-N-CA 125.903 1.681 . . . . 10.0 110.293 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.549 HG21 HD13 ' A' ' 26' ' ' ILE . 27.1 m -59.76 -50.78 72.49 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 112.384 -2.189 . . . . 10.0 116.36 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.779 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -72.24 -26.99 62.23 Favored 'General case' 0 N--CA 1.453 -0.311 0 O-C-N 128.247 3.467 . . . . 10.0 112.102 179.428 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.5 tttt -65.2 -30.63 71.55 Favored 'General case' 0 CA--C 1.488 -1.42 0 O-C-N 125.619 1.825 . . . . 10.0 112.64 179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.9 mm -78.01 -51.05 18.52 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 1 O-C-N 129.142 4.026 . . . . 10.0 107.577 179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.929 ' HB2' ' H31' ' A' ' 135' ' ' RTL . . . -61.39 -20.67 63.3 Favored 'General case' 0 C--O 1.22 -0.451 0 O-C-N 126.924 2.64 . . . . 10.0 112.055 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 31' ' ' ARG . 3.7 t -60.55 -45.32 97.34 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.937 0 CA-C-N 112.587 -2.097 . . . . 10.0 111.955 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.88 -20.04 14.04 Favored 'General case' 0 CA--C 1.513 -0.459 0 O-C-N 127.266 2.854 . . . . 10.0 114.591 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -69.15 117.57 10.96 Favored 'General case' 0 N--CA 1.436 -1.165 0 O-C-N 125.561 1.788 . . . . 10.0 107.534 -179.826 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.9 p -71.88 -73.1 0.2 Allowed 'General case' 0 N--CA 1.487 1.424 1 O-C-N 129.836 4.46 . . . . 10.0 109.669 179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 86.12 156.13 0.08 Allowed 'General case' 0 CA--C 1.496 -1.11 0 O-C-N 127.232 2.832 . . . . 10.0 115.904 179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 55' ' ' ASN . 1.9 m -118.43 142.61 47.39 Favored 'General case' 0 C--O 1.201 -1.499 1 O-C-N 131.061 5.226 . . . . 10.0 112.748 179.656 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.513 ' CD ' ' H14' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -162.62 168.21 22.06 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 127.352 2.908 . . . . 10.0 105.906 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.451 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -168.18 131.99 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.436 0 O-C-N 124.992 1.433 . . . . 10.0 112.129 179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.931 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.359 17.5 mt -99.65 172.48 1.17 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 111.604 -2.544 . . . . 10.0 109.48 179.917 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.528 ' N ' HG22 ' A' ' 43' ' ' ILE . 14.8 p -168.74 52.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.199 -1.559 0 C-N-CA 114.635 -2.826 . . . . 10.0 112.644 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.541 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 5.7 pt20 -64.91 175.79 1.41 Allowed 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 117.295 2.331 . . . . 10.0 117.295 -179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -142.3 -34.34 0.46 Allowed 'General case' 0 CA--C 1.49 -1.36 0 CA-C-N 109.351 -3.568 . . . . 10.0 112.014 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.94 -42.02 0.16 Allowed Glycine 0 N--CA 1.473 1.112 0 CA-C-N 120.593 1.542 . . . . 10.0 115.612 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -153.04 33.14 0.48 Allowed 'General case' 0 C--O 1.213 -0.852 0 O-C-N 121.695 -0.885 . . . . 10.0 111.67 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.461 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 1.1 t30 -176.32 120.08 0.15 Allowed 'General case' 0 C--O 1.238 0.478 0 O-C-N 127.079 2.737 . . . . 10.0 112.516 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.541 ' HB3' ' CB ' ' A' ' 45' ' ' GLN . 13.0 p90 -140.87 164.97 28.81 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 116.32 1.97 . . . . 10.0 116.32 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.4 tmtt? -144.67 124.17 13.17 Favored 'General case' 0 CA--C 1.481 -1.703 0 O-C-N 127.151 2.782 . . . . 10.0 112.208 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.411 HG23 ' CB ' ' A' ' 63' ' ' LEU . 1.5 t -136.41 157.92 45.66 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 128.658 3.723 . . . . 10.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.76 158.57 37.11 Favored 'General case' 0 CA--C 1.498 -1.047 0 O-C-N 127.251 2.845 . . . . 10.0 106.021 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.1 t -115.15 165.05 13.34 Favored 'General case' 0 C--O 1.223 -0.303 0 O-C-N 128.212 3.445 . . . . 10.0 110.768 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -130.48 79.66 1.91 Allowed 'General case' 0 C--O 1.218 -0.57 0 CA-C-N 112.026 -2.352 . . . . 10.0 113.424 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -114.43 147.73 38.83 Favored 'General case' 0 N--CA 1.481 1.075 2 O-C-N 130.831 5.082 . . . . 10.0 105.087 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.6 p -87.56 -40.26 14.4 Favored 'General case' 0 N--CA 1.485 1.278 1 O-C-N 129.376 4.172 . . . . 10.0 109.409 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.514 ' CE1' HG13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -62.2 -36.16 81.08 Favored 'General case' 0 CA--C 1.538 0.51 0 O-C-N 126.14 2.15 . . . . 10.0 115.628 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.75 93.66 0.07 Allowed 'General case' 0 C--O 1.211 -0.938 0 O-C-N 128.435 3.584 . . . . 10.0 114.709 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -53.29 147.07 10.83 Favored 'General case' 0 C--O 1.207 -1.17 2 O-C-N 130.089 4.618 . . . . 10.0 107.524 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -153.47 155.17 35.78 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 126.451 2.344 . . . . 10.0 108.989 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -141.46 148.17 39.07 Favored 'General case' 0 N--CA 1.484 1.264 0 O-C-N 127.584 3.052 . . . . 10.0 110.153 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.411 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.3 OUTLIER -125.79 49.02 1.99 Allowed 'General case' 0 CA--C 1.497 -1.081 0 O-C-N 128.871 3.857 . . . . 10.0 114.64 -179.73 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -64.15 102.24 0.49 Allowed 'General case' 0 CA--C 1.496 -1.134 0 N-CA-C 107.563 -1.273 . . . . 10.0 107.563 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 71' ' ' PHE . 15.1 t80 -147.43 144.97 29.03 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-O 126.83 3.205 . . . . 10.0 110.856 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.3 OUTLIER -81.1 174.28 11.74 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 119.182 -2.199 . . . . 10.0 106.294 179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 68.2 t -91.02 106.85 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.024 0 O-C-N 128.072 3.358 . . . . 10.0 114.298 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 57.51 23.25 48.45 Favored Glycine 0 C--N 1.354 1.54 0 O-C-N 127.997 3.311 . . . . 10.0 117.522 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG12 ' OG1' ' A' ' 66' ' ' THR . 0.5 OUTLIER -98.73 -0.51 10.28 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.444 0 CA-C-O 123.617 1.675 . . . . 10.0 109.501 179.818 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 68.52 137.65 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.509 2 CA-C-N 106.752 -4.749 . . . . 10.0 114.05 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.3 t80 -157.37 103.37 1.97 Allowed 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.735 2.494 . . . . 10.0 117.735 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.42 116.55 7.54 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 117.385 -1.293 . . . . 10.0 111.954 179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 -167.48 1.38 Allowed 'General case' 0 CA--C 1.489 -1.373 0 CA-C-O 124.18 1.943 . . . . 10.0 108.802 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.65 110.36 7.12 Favored 'General case' 0 CA--C 1.513 -0.443 0 CA-C-O 127.13 3.347 . . . . 10.0 110.602 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.575 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.6 OUTLIER -90.43 17.2 7.6 Favored 'General case' 0 C--O 1.197 -1.673 0 CA-C-N 110.796 -2.911 . . . . 10.0 114.603 179.944 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -3.02 10.98 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 113.12 -1.855 . . . . 10.0 115.116 179.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.31 -11.75 47.49 Favored Glycine 0 C--O 1.208 -1.5 0 CA-C-N 111.902 -2.408 . . . . 10.0 109.447 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.1 OUTLIER -134.32 24.97 3.82 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 127.936 3.732 . . . . 10.0 110.587 179.705 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 54.64 63.19 2.23 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-N 110.675 -2.966 . . . . 10.0 113.744 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.575 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -132.47 -46.52 0.12 Allowed Glycine 0 C--O 1.218 -0.852 0 N-CA-C 117.945 1.938 . . . . 10.0 117.945 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 71.92 -7.87 1.21 Allowed 'General case' 0 CA--C 1.495 -1.156 0 CA-C-N 110.898 -2.651 . . . . 10.0 116.396 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 177.33 137.49 0.07 Allowed 'General case' 0 C--O 1.199 -1.604 0 N-CA-C 116.108 1.892 . . . . 10.0 116.108 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -154.81 168.55 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.832 0 O-C-N 128.689 3.743 . . . . 10.0 111.364 179.43 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -136.68 73.28 1.45 Allowed 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 129.088 3.992 . . . . 10.0 108.994 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.91 144.64 8.29 Favored 'General case' 0 C--O 1.202 -1.413 0 O-C-N 129.011 3.944 . . . . 10.0 112.027 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.54 HD23 HG23 ' A' ' 88' ' ' THR . 2.1 tt -152.28 153.28 33.42 Favored 'General case' 0 C--O 1.208 -1.112 0 CA-C-N 111.663 -2.517 . . . . 10.0 109.228 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.44 HG23 ' SG ' ' A' ' 96' ' ' CYS . 2.4 t -145.93 138.67 20.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.564 1.173 . . . . 10.0 108.265 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.54 HG23 HD23 ' A' ' 86' ' ' LEU . 60.5 p -142.23 108.82 5.34 Favored 'General case' 0 CA--C 1.484 -1.561 0 CA-C-O 123.917 1.817 . . . . 10.0 108.46 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.465 ' CH2' ' HG3' ' A' ' 3' ' ' LYS . 33.9 m95 -49.27 140.38 9.99 Favored 'General case' 0 C--N 1.365 1.243 0 C-N-CA 126.131 1.773 . . . . 10.0 107.025 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -145.6 62.73 1.27 Allowed 'General case' 0 C--O 1.194 -1.861 1 CA-C-O 132.039 5.685 . . . . 10.0 116.781 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 100.36 -82.46 0.52 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-N 108.083 -4.144 . . . . 10.0 107.014 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -128.63 13.17 6.43 Favored 'General case' 0 C--O 1.207 -1.147 0 O-C-N 129.312 3.595 . . . . 10.0 111.117 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.691 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -115.75 174.45 6.02 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-N 110.87 -2.877 . . . . 10.0 111.19 -179.632 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.425 ' CD2' ' HG3' ' A' ' 5' ' ' GLN . 0.5 OUTLIER -152.35 51.36 0.78 Allowed 'General case' 0 C--N 1.311 -1.079 1 O-C-N 130.825 5.078 . . . . 10.0 111.889 -179.727 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.605 HG22 ' HG2' ' A' ' 108' ' ' LYS . 76.7 t -34.78 94.38 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.63 0 CA-C-N 111.912 -2.404 . . . . 10.0 112.988 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.616 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -75.56 165.75 24.62 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 129.017 3.948 . . . . 10.0 105.514 179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.616 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -173.66 130.39 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.501 -0.908 0 CA-C-O 127.178 3.371 . . . . 10.0 117.216 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -114.67 142.56 46.31 Favored 'General case' 0 C--N 1.362 1.116 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.527 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -123.89 33.08 5.39 Favored 'General case' 0 C--O 1.216 -0.663 0 O-C-N 128.691 3.744 . . . . 10.0 111.415 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.418 ' HA3' ' HA ' ' A' ' 83' ' ' VAL . . . -95.5 52.65 1.78 Allowed Glycine 0 C--O 1.199 -2.035 0 CA-C-O 124.981 2.434 . . . . 10.0 111.77 179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 80.4 13.23 0.88 Allowed 'General case' 0 C--O 1.219 -0.526 0 CA-C-N 108.263 -3.969 . . . . 10.0 106.433 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.2 mptt -87.92 -53.14 4.9 Favored 'General case' 0 N--CA 1.432 -1.347 0 CA-C-O 125.949 2.785 . . . . 10.0 111.951 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 38.32 81.63 0.02 OUTLIER 'General case' 0 N--CA 1.429 -1.49 1 CA-C-N 107.69 -4.323 . . . . 10.0 117.036 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.7 t30 108.41 54.39 0.0 OUTLIER 'General case' 0 C--O 1.242 0.708 2 O-C-N 133.823 6.952 . . . . 10.0 110.28 179.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.5 ttt-85 -113.41 81.93 1.59 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 120.28 1.4 . . . . 10.0 107.57 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.02 155.91 17.32 Favored Glycine 0 C--N 1.351 1.362 1 O-C-N 131.015 5.197 . . . . 10.0 115.957 -179.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.823 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.287 0.0 OUTLIER -125.85 98.21 5.44 Favored 'General case' 0 C--O 1.198 -1.631 0 O-C-N 129.253 3.561 . . . . 10.0 115.361 -179.996 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.605 ' HG2' HG22 ' A' ' 95' ' ' VAL . 6.2 mtpm? -86.64 73.74 9.99 Favored 'General case' 0 C--O 1.206 -1.188 0 O-C-N 128.338 3.524 . . . . 10.0 116.281 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.706 ' CB ' HD21 ' A' ' 116' ' ' LEU . 0.7 OUTLIER -96.58 104.83 16.85 Favored 'General case' 0 N--CA 1.487 1.41 0 CA-C-N 110.794 -2.912 . . . . 10.0 105.137 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.691 ' HB3' HG23 ' A' ' 93' ' ' THR . 5.9 p90 -97.44 1.92 49.76 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 117.38 2.363 . . . . 10.0 117.38 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 16.0 t 58.63 125.91 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.409 1 CA-C-O 131.12 5.248 . . . . 10.0 114.67 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -130.12 8.51 5.17 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 110.072 -3.24 . . . . 10.0 114.763 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.24 124.46 0.05 OUTLIER Glycine 0 C--N 1.348 1.207 0 CA-C-N 115.045 -0.98 . . . . 10.0 111.668 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 75.18 -51.75 0.66 Allowed 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 126.04 1.736 . . . . 10.0 113.715 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.453 ' HD2' ' HA ' ' A' ' 115' ' ' LYS . 13.4 mmmt -115.15 138.69 50.63 Favored 'General case' 0 C--N 1.313 -1.014 0 O-C-N 127.269 2.855 . . . . 10.0 104.879 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.706 HD21 ' CB ' ' A' ' 109' ' ' GLN . 6.9 tt -131.45 139.22 49.32 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 126.233 2.208 . . . . 10.0 109.738 179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -112.16 74.38 0.86 Allowed 'General case' 0 C--O 1.203 -1.359 1 O-C-N 129.389 4.181 . . . . 10.0 114.219 -179.534 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.823 HD11 ' CB ' ' A' ' 107' ' ' TRP . 30.4 tp -74.66 126.73 31.46 Favored 'General case' 0 C--N 1.359 0.991 1 CA-C-N 106.783 -4.735 . . . . 10.0 106.38 179.517 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -108.6 107.9 18.57 Favored 'General case' 0 CA--C 1.484 -1.582 0 O-C-N 126.015 2.072 . . . . 10.0 111.8 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.506 ' CD1' ' CE1' ' A' ' 20' ' ' TYR . 6.3 mt -84.48 153.24 23.45 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 113.537 -3.265 . . . . 10.0 107.18 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.891 HG22 HG13 ' A' ' 126' ' ' VAL . 72.5 p -132.97 23.84 4.22 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-N 113.732 -1.577 . . . . 10.0 109.252 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -59.83 120.3 9.31 Favored 'General case' 0 CA--C 1.501 -0.935 0 N-CA-C 114.044 1.128 . . . . 10.0 114.044 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 101.31 -160.21 18.45 Favored Glycine 0 C--O 1.214 -1.104 0 O-C-N 127.516 3.01 . . . . 10.0 114.429 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -79.12 -21.29 46.83 Favored 'General case' 0 C--O 1.205 -1.242 0 CA-C-N 111.715 -2.243 . . . . 10.0 109.496 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 14.3 mt-30 -112.75 175.29 5.5 Favored 'General case' 0 C--O 1.198 -1.607 1 O-C-N 129.773 4.421 . . . . 10.0 108.64 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.891 HG13 HG22 ' A' ' 121' ' ' THR . 5.9 t -106.53 137.04 39.0 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.553 0 CA-C-N 110.465 -3.061 . . . . 10.0 111.913 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.455 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 1.8 m -118.13 -161.48 0.83 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.741 -1.207 . . . . 10.0 107.741 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -165.87 119.46 1.15 Allowed 'General case' 0 CA--C 1.495 -1.154 0 N-CA-C 116.41 2.004 . . . . 10.0 116.41 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.437 ' HB2' ' CG ' ' A' ' 118' ' ' LEU . 6.0 mm-40 -88.25 130.9 34.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 O-C-N 128.172 3.42 . . . . 10.0 117.229 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 51.0 t -107.25 106.45 20.67 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.607 0 N-CA-C 103.07 -2.937 . . . . 10.0 103.07 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.536 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.268 3.7 m-85 -114.36 154.71 27.6 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-N 110.491 -3.05 . . . . 10.0 110.674 -179.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.262 16.5 mtpt -136.67 157.38 46.9 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 103.065 -2.939 . . . . 10.0 103.065 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.97 151.88 25.94 Favored 'General case' 0 C--O 1.204 -1.291 0 O-C-N 127.632 3.082 . . . . 10.0 118.144 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.206 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.929 ' H31' ' HB2' ' A' ' 34' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.513 2.692 0 CA-C-O 125.853 2.74 . . . . 10.0 110.082 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 m -87.29 108.28 18.88 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-N 112.537 -2.12 . . . . 10.0 105.685 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' HD3' ' CZ3' ' A' ' 89' ' ' TRP . 5.4 pttt 38.45 -89.5 0.01 OUTLIER 'General case' 0 CA--C 1.511 -0.536 0 O-C-N 129.088 3.992 . . . . 10.0 114.583 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 48.56 78.05 0.09 Allowed 'General case' 0 N--CA 1.481 1.079 0 O-C-N 125.652 1.845 . . . . 10.0 107.039 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' HG3' ' CD2' ' A' ' 94' ' ' LEU . 22.1 mm100 -65.51 -71.74 0.18 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 113.981 -2.914 . . . . 10.0 106.016 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER 0.73 94.34 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.741 1 O-C-N 132.238 5.961 . . . . 10.0 110.432 -179.886 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.64 -172.72 18.77 Favored Glycine 0 N--CA 1.436 -1.336 0 C-N-CA 118.069 -2.015 . . . . 10.0 111.665 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.675 ' OG1' HD12 ' A' ' 42' ' ' ILE . 91.8 m -129.94 143.0 50.57 Favored 'General case' 0 C--N 1.315 -0.923 1 O-C-N 132.861 5.683 . . . . 10.0 104.303 -179.787 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.724 ' CE3' HD12 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -173.13 101.49 0.12 Allowed 'General case' 0 CA--C 1.489 -1.385 0 O-C-N 127.438 2.961 . . . . 10.0 114.487 -179.276 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -67.17 124.33 22.8 Favored 'General case' 0 C--O 1.207 -1.163 0 C-N-CA 123.236 0.614 . . . . 10.0 111.577 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.477 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 14.2 mtp -59.8 137.65 58.0 Favored 'General case' 0 N--CA 1.478 0.942 0 CA-C-O 113.903 -2.951 . . . . 10.0 103.285 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.651 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.4 OUTLIER -120.22 -61.98 1.53 Allowed 'General case' 0 C--O 1.198 -1.646 0 O-C-N 128.884 3.865 . . . . 10.0 109.985 -179.807 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.76 -174.59 3.82 Favored 'General case' 0 C--N 1.355 0.812 0 CA-C-N 109.027 -3.715 . . . . 10.0 108.738 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -167.5 -179.9 4.62 Favored 'General case' 0 CA--C 1.495 -1.15 0 CA-C-N 109.149 -3.659 . . . . 10.0 111.939 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 128' ' ' ARG . 17.8 mm-40 -133.44 169.38 17.04 Favored 'General case' 0 N--CA 1.484 1.235 1 O-C-N 129.587 4.304 . . . . 10.0 107.285 179.733 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 37.25 57.06 1.32 Allowed 'General case' 0 C--O 1.196 -1.76 0 O-C-N 125.456 1.722 . . . . 10.0 108.404 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.49 ' CD1' HG22 ' A' ' 35' ' ' VAL . 29.7 m-85 -42.22 -38.48 1.77 Allowed 'General case' 0 CA--C 1.492 -1.264 1 O-C-N 129.569 4.293 . . . . 10.0 108.654 -179.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -60.25 -34.41 73.67 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 110.616 -2.993 . . . . 10.0 117.159 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.33 -24.35 74.93 Favored Glycine 0 C--N 1.345 1.065 0 CA-C-O 115.611 -2.772 . . . . 10.0 111.833 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -70.34 -29.94 66.76 Favored 'General case' 0 C--O 1.199 -1.558 0 CA-C-O 124.271 1.986 . . . . 10.0 109.121 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . 0.256 3.4 tmm? -79.7 -21.16 44.96 Favored 'General case' 0 CA--C 1.484 -1.585 0 CA-C-N 110.466 -3.061 . . . . 10.0 112.377 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -76.77 -43.83 35.33 Favored 'General case' 0 CA--C 1.506 -0.731 0 CA-C-N 112.819 -1.991 . . . . 10.0 112.741 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.16 -31.14 72.21 Favored 'General case' 0 C--O 1.206 -1.22 1 O-C-N 131.049 5.218 . . . . 10.0 112.345 -179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . 0.291 0.1 OUTLIER -106.87 -163.61 0.93 Allowed 'General case' 0 N--CA 1.488 1.45 2 CA-C-N 106.428 -4.897 . . . . 10.0 102.75 179.871 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -173.19 44.7 0.02 OUTLIER 'General case' 0 CA--C 1.501 -0.919 1 CA-C-O 128.597 4.046 . . . . 10.0 109.572 179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 1.053 HG21 HG21 ' A' ' 30' ' ' THR . 15.4 tt -76.11 -57.29 6.37 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.462 0 CA-C-N 109.846 -3.343 . . . . 10.0 114.591 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.454 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.45 171.97 0.15 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 119.489 -2.007 . . . . 10.0 110.969 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -75.76 -34.17 60.25 Favored 'General case' 0 C--O 1.204 -1.303 0 N-CA-C 116.304 1.964 . . . . 10.0 116.304 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.73 -42.62 99.2 Favored 'General case' 0 C--O 1.209 -1.046 0 CA-C-N 112.278 -2.237 . . . . 10.0 110.403 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 1.053 HG21 HG21 ' A' ' 26' ' ' ILE . 85.2 m -49.14 -44.15 42.37 Favored 'General case' 0 C--N 1.35 0.627 0 N-CA-C 118.236 2.68 . . . . 10.0 118.236 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.86 -32.22 57.36 Favored 'General case' 0 C--N 1.311 -1.078 0 O-C-N 128.312 3.507 . . . . 10.0 109.656 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -78.57 -29.11 46.04 Favored 'General case' 0 CA--C 1.488 -1.436 0 O-C-N 126.805 2.565 . . . . 10.0 108.628 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.496 HD12 ' HA ' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -72.27 -39.88 64.6 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.887 0 O-C-N 127.768 3.167 . . . . 10.0 111.603 -179.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.95 -22.74 61.41 Favored 'General case' 0 C--N 1.358 0.962 0 CA-C-O 125.618 2.628 . . . . 10.0 109.996 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.2 t -65.22 -29.02 46.02 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.544 0 CA-C-N 111.224 -2.716 . . . . 10.0 115.154 179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 15.72 3.53 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 126.949 2.656 . . . . 10.0 114.687 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -61.76 -41.89 98.27 Favored 'General case' 0 N--CA 1.441 -0.887 0 CA-C-O 115.274 -2.298 . . . . 10.0 112.479 -179.831 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.651 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 55.82 42.32 29.15 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 128.595 3.684 . . . . 10.0 110.615 -179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.745 ' NE2' ' H ' ' A' ' 40' ' ' THR . 2.7 mm100 -55.17 -172.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 115.5 1.667 . . . . 10.0 115.5 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.745 ' H ' ' NE2' ' A' ' 39' ' ' GLN . 22.7 m -124.29 149.34 46.64 Favored 'General case' 0 N--CA 1.43 -1.428 0 C-N-CA 131.462 3.905 . . . . 10.0 111.83 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HD2' ' C14' ' A' ' 135' ' ' RTL . 2.3 ttpt -161.04 159.01 28.77 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 126.842 2.589 . . . . 10.0 106.075 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.675 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -169.77 112.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.21 -0.977 0 O-C-N 127.57 3.044 . . . . 10.0 111.644 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.738 HD11 ' OE1' ' A' ' 109' ' ' GLN 0.253 29.6 mt -83.82 168.95 1.63 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 CA-C-N 111.697 -2.501 . . . . 10.0 108.566 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 44' ' ' VAL . 2.8 p -172.07 91.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.748 0 C-N-CA 114.315 -2.954 . . . . 10.0 109.692 179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.565 ' HG3' ' CB ' ' A' ' 50' ' ' PHE . 3.3 mt-30 -81.86 140.99 33.8 Favored 'General case' 0 CA--C 1.491 -1.321 0 N-CA-C 118.119 2.637 . . . . 10.0 118.119 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -132.54 22.56 4.33 Favored 'General case' 0 CA--C 1.491 -1.289 2 CA-C-N 107.038 -4.619 . . . . 10.0 112.356 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 86.76 95.31 0.86 Allowed Glycine 0 C--O 1.2 -2.009 0 CA-C-N 113.336 -1.757 . . . . 10.0 114.555 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 56.16 59.89 3.47 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 115.649 -2.42 . . . . 10.0 114.308 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 5.5 p30 159.47 66.77 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 116.225 -1.845 . . . . 10.0 111.589 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.565 ' CB ' ' HG3' ' A' ' 45' ' ' GLN . 7.5 p90 -82.21 162.06 22.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 O-C-N 128.147 3.404 . . . . 10.0 116.503 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -140.66 112.39 7.54 Favored 'General case' 0 CA--C 1.483 -1.604 0 O-C-N 127.245 2.841 . . . . 10.0 115.97 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -130.73 132.9 45.61 Favored 'General case' 0 CA--C 1.503 -0.846 0 O-C-N 125.827 1.954 . . . . 10.0 111.291 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.93 167.4 19.68 Favored 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 128.505 3.628 . . . . 10.0 106.819 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.81 132.79 49.43 Favored 'General case' 0 C--N 1.317 -0.837 1 O-C-N 129.479 4.237 . . . . 10.0 110.74 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.99 22.21 7.77 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 115.864 1.802 . . . . 10.0 115.864 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.534 ' HA ' ' CG ' ' A' ' 39' ' ' GLN . 3.7 p -46.1 135.16 7.82 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 127.127 2.767 . . . . 10.0 107.257 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 39.0 m -67.57 -46.87 71.41 Favored 'General case' 0 N--CA 1.489 1.481 1 O-C-N 130.747 5.029 . . . . 10.0 106.725 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -57.65 -50.27 73.71 Favored 'General case' 0 C--N 1.364 1.196 0 CA-C-N 109.549 -3.478 . . . . 10.0 116.088 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.31 100.88 0.84 Allowed 'General case' 0 C--O 1.213 -0.853 0 C-N-CA 115.258 -2.577 . . . . 10.0 114.264 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-20 -49.33 139.08 12.0 Favored 'General case' 0 C--O 1.21 -0.997 0 O-C-N 126.281 2.238 . . . . 10.0 109.612 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -149.25 149.93 31.75 Favored 'General case' 0 C--N 1.329 -0.292 1 O-C-N 131.074 5.234 . . . . 10.0 111.929 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -147.85 152.69 38.06 Favored 'General case' 0 C--O 1.205 -1.266 1 O-C-N 129.192 4.058 . . . . 10.0 109.728 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.556 ' O ' HD13 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -117.59 4.39 12.38 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-O 114.903 -2.475 . . . . 10.0 117.087 -179.839 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -11.47 99.57 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.486 1 O-C-N 131.012 5.195 . . . . 10.0 112.875 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.585 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 22.4 t80 -152.29 150.45 29.77 Favored 'General case' 0 CA--C 1.491 -1.314 0 CA-C-O 128.436 3.969 . . . . 10.0 113.347 -179.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.8 -174.81 1.9 Allowed 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 110.773 -2.921 . . . . 10.0 109.385 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.452 ' CG1' ' CD1' ' A' ' 89' ' ' TRP . 96.4 t -111.69 92.8 2.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.266 0 CA-C-O 124.127 1.918 . . . . 10.0 115.659 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 88.1 4.48 78.05 Favored Glycine 0 C--O 1.207 -1.565 0 CA-C-N 110.423 -3.081 . . . . 10.0 116.027 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.294 20.2 t -116.63 72.0 0.35 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.637 0 N-CA-C 102.959 -2.978 . . . . 10.0 102.959 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.516 ' HA ' ' CE1' ' A' ' 65' ' ' PHE 0.27 25.4 pt-20 -25.74 142.25 0.01 OUTLIER 'General case' 0 C--O 1.221 -0.396 2 O-C-N 133.678 6.861 . . . . 10.0 116.518 -179.626 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -143.29 106.9 4.61 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-N 109.972 -3.285 . . . . 10.0 115.375 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.88 102.64 0.99 Allowed 'General case' 0 C--O 1.209 -1.058 0 CA-C-O 122.259 1.028 . . . . 10.0 112.576 -179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 51.2 mm-40 -89.73 -179.45 5.76 Favored 'General case' 0 CA--C 1.485 -1.546 0 CA-C-O 126.74 3.162 . . . . 10.0 109.909 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.16 130.75 52.8 Favored 'General case' 0 CA--C 1.511 -0.536 0 CA-C-O 125.331 2.491 . . . . 10.0 110.445 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.409 ' OG1' ' N ' ' A' ' 81' ' ' ARG . 0.8 OUTLIER -101.23 10.3 40.9 Favored 'General case' 0 C--O 1.197 -1.7 0 CA-C-N 112.424 -2.171 . . . . 10.0 111.232 179.872 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -53.19 98.99 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 124.836 2.255 . . . . 10.0 115.113 -179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 139.07 -24.73 2.82 Favored Glycine 0 N--CA 1.467 0.707 0 CA-C-N 109.582 -3.463 . . . . 10.0 111.958 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD21 ' H32' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -102.41 7.51 40.36 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 128.15 2.912 . . . . 10.0 113.307 179.737 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 71.69 25.31 3.28 Favored 'General case' 0 CA--C 1.495 -1.157 0 CA-C-N 110.398 -3.092 . . . . 10.0 114.217 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -91.29 -55.67 1.79 Allowed Glycine 0 C--O 1.208 -1.495 0 CA-C-O 123.748 1.749 . . . . 10.0 113.801 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.409 ' N ' ' OG1' ' A' ' 75' ' ' THR . 0.1 OUTLIER 67.72 -15.87 0.18 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 109.477 -3.362 . . . . 10.0 115.151 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' O ' HG13 ' A' ' 83' ' ' VAL . 2.7 p-10 -169.42 136.59 1.73 Allowed 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 116.95 -1.5 . . . . 10.0 114.187 -179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.531 HG11 ' NE2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -162.93 159.17 1.57 Allowed 'Isoleucine or valine' 0 CA--C 1.489 -1.39 1 O-C-N 130.458 4.848 . . . . 10.0 112.413 -179.842 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.414 ' HE3' ' HA2' ' A' ' 100' ' ' GLY . 0.0 OUTLIER -136.92 102.57 4.9 Favored 'General case' 0 CA--C 1.5 -0.973 1 O-C-N 129.384 4.178 . . . . 10.0 110.736 179.924 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.585 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -89.81 138.56 31.38 Favored 'General case' 0 C--O 1.206 -1.215 0 O-C-N 126.301 2.251 . . . . 10.0 116.027 -179.846 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 86' ' ' LEU . 9.5 tt -139.32 133.46 31.2 Favored 'General case' 0 C--N 1.35 0.59 0 O-C-N 127.115 2.759 . . . . 10.0 110.176 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' A' ' 88' ' ' THR . 1.6 t -114.62 155.25 15.85 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.326 0 CA-C-O 123.686 1.707 . . . . 10.0 112.156 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.456 ' N ' ' CG1' ' A' ' 87' ' ' VAL . 9.6 m -162.06 97.66 1.04 Allowed 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 112.202 -2.272 . . . . 10.0 110.139 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.515 ' CZ3' ' HD3' ' A' ' 3' ' ' LYS . 26.6 m95 -49.02 130.51 18.59 Favored 'General case' 0 N--CA 1.437 -1.109 0 CA-C-O 114.128 -2.844 . . . . 10.0 107.854 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -34.69 12.48 Favored 'General case' 0 C--O 1.194 -1.855 1 O-C-N 132.458 6.099 . . . . 10.0 116.425 -179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 178.78 -75.83 0.07 OUTLIER Glycine 0 C--O 1.195 -2.331 0 N-CA-C 103.137 -3.985 . . . . 10.0 103.137 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -120.95 17.73 11.75 Favored 'General case' 0 C--O 1.212 -0.879 1 O-C-N 130.926 4.545 . . . . 10.0 106.397 -179.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.723 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -120.63 -163.12 0.99 Allowed 'General case' 0 C--O 1.216 -0.687 0 C-N-CA 128.472 2.709 . . . . 10.0 114.7 179.633 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.629 HD12 ' SG ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER 174.61 98.65 0.01 OUTLIER 'General case' 0 C--N 1.31 -1.128 0 O-C-N 127.384 2.928 . . . . 10.0 111.535 -179.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.55 HG22 ' HD3' ' A' ' 108' ' ' LYS 0.296 61.5 t -78.01 94.6 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.488 -1.438 0 CA-C-N 113.149 -1.841 . . . . 10.0 113.321 179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.629 ' SG ' HD12 ' A' ' 94' ' ' LEU . 1.1 m -97.82 106.04 18.28 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 106.219 -1.771 . . . . 10.0 106.219 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.571 HG23 ' N ' ' A' ' 106' ' ' GLY . 0.3 OUTLIER -119.48 140.76 42.38 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 CA-C-N 111.265 -2.698 . . . . 10.0 113.061 -179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.55 ' HB2' ' HG3' ' A' ' 102' ' ' LYS . 2.1 mt-30 -106.04 155.89 18.95 Favored 'General case' 0 CA--C 1.506 -0.723 0 C-N-CA 127.362 2.265 . . . . 10.0 110.152 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.408 ' HG3' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -146.8 49.79 1.13 Allowed 'General case' 0 C--O 1.201 -1.468 0 O-C-N 127.049 2.718 . . . . 10.0 111.414 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.414 ' HA2' ' HE3' ' A' ' 84' ' ' LYS . . . -93.19 -54.46 1.72 Allowed Glycine 0 C--O 1.199 -2.039 1 CA-C-O 128.363 4.313 . . . . 10.0 108.605 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -145.16 26.12 1.35 Allowed 'General case' 0 C--O 1.207 -1.139 0 CA-C-N 108.278 -3.961 . . . . 10.0 110.233 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.55 ' HG3' ' HB2' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -123.35 -73.18 0.65 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 113.05 -1.887 . . . . 10.0 114.005 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.408 ' HA ' ' HG3' ' A' ' 99' ' ' LYS . 68.3 mt-10 78.61 18.0 1.01 Allowed 'General case' 0 N--CA 1.442 -0.868 0 N-CA-C 118.717 2.858 . . . . 10.0 118.717 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -178.94 47.71 0.0 OUTLIER 'General case' 0 C--O 1.241 0.607 0 O-C-N 128.486 3.617 . . . . 10.0 109.053 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.828 ' NH2' H193 ' A' ' 135' ' ' RTL . 2.3 ttt180 -102.13 60.37 0.84 Allowed 'General case' 0 C--O 1.198 -1.614 0 O-C-N 126.739 2.524 . . . . 10.0 107.626 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.571 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -94.9 125.45 8.34 Favored Glycine 0 C--O 1.214 -1.112 2 O-C-N 131.753 5.658 . . . . 10.0 116.772 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.889 ' HB3' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -104.06 104.89 14.9 Favored 'General case' 0 N--CA 1.428 -1.568 1 O-C-N 133.962 6.331 . . . . 10.0 114.124 -179.526 . . . . . . . . 5 4 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.55 ' HD3' HG22 ' A' ' 95' ' ' VAL . 4.7 mmtp -88.59 62.42 6.52 Favored 'General case' 0 C--O 1.2 -1.509 0 CA-C-O 127.02 3.295 . . . . 10.0 109.936 179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.738 ' OE1' HD11 ' A' ' 43' ' ' ILE . 14.5 tt0 -74.41 66.9 1.4 Allowed 'General case' 0 C--N 1.365 1.274 1 CA-C-N 107.117 -4.583 . . . . 10.0 110.993 -179.286 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.723 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.81 104.76 13.28 Favored 'General case' 0 CA--C 1.479 -1.774 0 CA-C-O 126.124 2.869 . . . . 10.0 111.246 179.314 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 43.5 t -60.13 137.03 23.13 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 119.691 3.219 . . . . 10.0 119.691 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -142.85 57.89 1.42 Allowed 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 110.238 -3.165 . . . . 10.0 110.908 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 50.41 -140.54 19.15 Favored Glycine 0 C--O 1.209 -1.416 0 O-C-N 125.207 1.567 . . . . 10.0 111.717 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -39.42 -29.5 0.05 OUTLIER 'General case' 0 C--O 1.211 -0.959 0 CA-C-O 115.608 -2.139 . . . . 10.0 116.251 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mmtm -103.18 143.76 32.2 Favored 'General case' 0 N--CA 1.478 0.928 1 O-C-N 130.979 5.174 . . . . 10.0 108.541 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.724 HD12 ' CE3' ' A' ' 9' ' ' TRP . 0.3 OUTLIER -150.89 117.04 5.61 Favored 'General case' 0 CA--C 1.495 -1.16 0 O-C-N 125.236 1.585 . . . . 10.0 111.475 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.494 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 4.6 m-85 -103.7 69.63 0.98 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.975 3.922 . . . . 10.0 115.257 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.889 HD11 ' HB3' ' A' ' 107' ' ' TRP . 15.6 tp -70.03 117.02 11.08 Favored 'General case' 0 CA--C 1.499 -1.014 1 CA-C-N 107.492 -4.413 . . . . 10.0 108.401 -179.879 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -97.01 95.98 8.17 Favored 'General case' 0 CA--C 1.492 -1.268 0 CA-C-O 115.852 -2.023 . . . . 10.0 111.632 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.5 mt -80.49 108.67 14.31 Favored 'General case' 0 C--N 1.357 0.916 0 O-C-N 128.54 3.65 . . . . 10.0 107.384 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.586 HG22 HG13 ' A' ' 126' ' ' VAL . 75.3 p -98.57 24.78 7.05 Favored 'General case' 0 C--O 1.204 -1.315 0 CA-C-N 112.879 -1.964 . . . . 10.0 108.347 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . 0.251 18.0 p -67.96 149.22 50.03 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-O 125.937 2.779 . . . . 10.0 111.908 179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 74.25 14.93 80.31 Favored Glycine 0 N--CA 1.444 -0.787 0 CA-C-N 112.951 -1.931 . . . . 10.0 114.179 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 4.9 t0 84.48 -59.32 0.1 Allowed 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 105.715 -1.958 . . . . 10.0 105.715 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -58.8 147.97 31.49 Favored 'General case' 0 C--O 1.205 -1.27 1 O-C-N 130.234 4.709 . . . . 10.0 105.657 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.586 HG13 HG22 ' A' ' 121' ' ' THR . 21.5 t -89.93 103.07 13.83 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.119 0 N-CA-C 119.295 3.072 . . . . 10.0 119.295 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 8.2 m -88.42 -157.38 0.42 Allowed 'General case' 0 N--CA 1.486 1.342 0 N-CA-C 104.424 -2.436 . . . . 10.0 104.424 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -161.0 139.28 9.72 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 125.913 2.008 . . . . 10.0 110.597 179.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.739 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.8 tp60 -111.78 128.94 56.25 Favored 'General case' 0 CA--C 1.485 -1.553 1 O-C-N 129.615 4.322 . . . . 10.0 112.158 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.75 122.37 59.18 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 N-CA-C 104.921 -2.252 . . . . 10.0 104.921 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 4.6 m-85 -135.24 117.43 15.5 Favored 'General case' 0 CA--C 1.489 -1.378 0 CA-C-N 111.072 -2.785 . . . . 10.0 111.72 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.357 0.3 OUTLIER -132.09 153.51 50.39 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 113.402 -3.189 . . . . 10.0 105.522 -179.885 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' LYS . 12.3 tttt 135.34 -89.56 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.156 1 O-C-N 133.966 7.041 . . . . 10.0 116.573 179.572 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.48 -1.72 0 O-C-N 125.57 1.794 . . . . 10.0 113.754 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.828 H193 ' NH2' ' A' ' 105' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.505 2.29 0 N-CA-C 110.425 -0.213 . . . . 10.0 110.425 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.3 p -107.99 -166.08 1.1 Allowed 'General case' 0 C--O 1.212 -0.897 0 N-CA-C 107.016 -1.475 . . . . 10.0 107.016 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -100.88 -59.43 1.7 Allowed 'General case' 0 N--CA 1.438 -1.048 0 O-C-N 128.557 3.661 . . . . 10.0 118.809 179.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 62.04 60.84 1.44 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 105.814 -1.921 . . . . 10.0 105.814 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.465 ' NE2' ' HA ' ' A' ' 5' ' ' GLN . 17.5 mm100 -58.19 -32.73 68.52 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 104.275 -2.491 . . . . 10.0 104.275 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.581 ' OD1' HG23 ' A' ' 44' ' ' VAL . 7.9 m-80 -44.54 89.03 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.542 1 O-C-N 131.401 5.438 . . . . 10.0 110.381 179.591 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.4 -175.77 22.78 Favored Glycine 0 C--O 1.198 -2.142 0 C-N-CA 117.623 -2.227 . . . . 10.0 111.887 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.533 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 8.5 m -123.8 150.59 44.3 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 129.421 3.659 . . . . 10.0 105.22 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.727 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -165.64 72.82 0.18 Allowed 'General case' 0 CA--C 1.493 -1.237 0 O-C-N 125.728 1.893 . . . . 10.0 114.955 -178.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.931 ' HG2' HG23 ' A' ' 40' ' ' THR . 52.2 mt-10 -62.72 106.35 0.78 Allowed 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 116.804 -1.958 . . . . 10.0 107.665 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.453 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 3.1 mtt -37.93 140.69 0.25 Allowed 'General case' 0 N--CA 1.477 0.897 0 O-C-N 128.041 3.338 . . . . 10.0 106.863 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -104.02 -62.49 1.3 Allowed 'General case' 0 C--O 1.212 -0.875 1 O-C-N 131.664 5.603 . . . . 10.0 111.406 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.85 176.69 12.16 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 112.027 -2.351 . . . . 10.0 112.664 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -149.4 161.69 41.58 Favored 'General case' 0 C--O 1.202 -1.415 0 CA-C-N 110.843 -2.89 . . . . 10.0 111.055 179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -119.58 176.51 5.33 Favored 'General case' 0 N--CA 1.48 1.05 1 O-C-N 131.654 5.596 . . . . 10.0 107.418 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 37.98 57.04 1.59 Allowed 'General case' 0 C--O 1.21 -1.005 0 C-N-CA 126.244 1.818 . . . . 10.0 109.287 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -49.16 -30.7 7.14 Favored 'General case' 0 C--O 1.2 -1.545 0 CA-C-O 127.541 3.543 . . . . 10.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.276 54.4 mt-10 -71.85 -41.19 68.39 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 110.88 -2.873 . . . . 10.0 114.841 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.88 -23.51 61.72 Favored Glycine 0 CA--C 1.485 -1.792 0 C-N-CA 116.517 -2.754 . . . . 10.0 108.301 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.596 ' OH ' H192 ' A' ' 135' ' ' RTL . 44.7 t80 -67.45 -34.26 76.82 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 124.28 1.99 . . . . 10.0 108.056 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HB2' ' HB2' ' A' ' 31' ' ' ARG 0.268 0.0 OUTLIER -78.62 -21.27 48.7 Favored 'General case' 0 CA--C 1.489 -1.38 0 CA-C-N 111.521 -2.582 . . . . 10.0 111.979 179.743 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -74.99 -34.65 62.0 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 125.974 2.046 . . . . 10.0 113.947 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.28 -24.23 43.06 Favored 'General case' 0 C--O 1.208 -1.097 1 O-C-N 130.955 5.159 . . . . 10.0 112.309 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.821 HD11 ' O ' ' A' ' 78' ' ' LEU 0.309 34.1 tp -133.56 76.25 1.66 Allowed 'General case' 0 N--CA 1.485 1.278 1 CA-C-N 107.666 -4.334 . . . . 10.0 107.344 -179.846 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -68.41 64.88 0.11 Allowed 'General case' 0 CA--C 1.495 -1.142 0 CA-C-O 126.167 2.889 . . . . 10.0 112.611 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.578 HG21 ' OG1' ' A' ' 30' ' ' THR . 2.9 mt -75.46 -66.5 0.6 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.085 0 CA-C-O 126.785 3.183 . . . . 10.0 111.439 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.512 ' N ' HG22 ' A' ' 26' ' ' ILE . 0.2 OUTLIER -179.12 -175.3 0.37 Allowed 'General case' 0 C--N 1.362 1.143 0 CA-C-N 109.507 -3.497 . . . . 10.0 110.242 -179.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -74.23 -20.96 60.0 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 127.655 3.097 . . . . 10.0 114.312 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.78 ' O ' HD12 ' A' ' 33' ' ' ILE . . . -65.85 -46.87 76.89 Favored 'General case' 0 C--N 1.361 1.085 0 CA-C-N 112.975 -1.921 . . . . 10.0 111.566 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 ' OG1' HG21 ' A' ' 26' ' ' ILE . 0.9 OUTLIER -46.61 -49.01 19.62 Favored 'General case' 0 CA--C 1.512 -0.515 0 N-CA-C 117.978 2.585 . . . . 10.0 117.978 -179.222 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.56 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.91 -43.15 55.87 Favored 'General case' 0 C--O 1.218 -0.599 0 O-C-N 126.415 2.322 . . . . 10.0 109.882 179.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -69.38 -29.88 67.75 Favored 'General case' 0 C--N 1.31 -1.129 0 O-C-N 126.086 2.116 . . . . 10.0 112.697 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.791 HD13 ' CD1' ' A' ' 58' ' ' PHE . 2.7 mt -78.7 -48.08 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 1 O-C-N 130.494 4.872 . . . . 10.0 108.579 -179.932 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.23 -28.03 66.88 Favored 'General case' 0 C--N 1.347 0.479 0 CA-C-O 124.751 2.215 . . . . 10.0 111.233 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -48.67 -30.73 3.3 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 O-C-N 120.548 -1.345 . . . . 10.0 114.306 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.426 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -128.74 -23.85 3.06 Favored 'General case' 0 N--CA 1.434 -1.234 0 O-C-N 128.097 3.373 . . . . 10.0 115.639 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.6 OUTLIER -50.89 126.06 15.09 Favored 'General case' 0 C--N 1.319 -0.744 0 O-C-N 128.758 3.786 . . . . 10.0 110.978 179.881 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.1 p -106.03 43.07 1.17 Allowed 'General case' 0 C--N 1.319 -0.755 1 O-C-N 131.743 5.652 . . . . 10.0 111.603 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' OE1' H161 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -31.54 143.32 0.02 OUTLIER 'General case' 0 N--CA 1.485 1.323 0 O-C-N 126.699 2.499 . . . . 10.0 115.865 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.931 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -100.95 132.52 46.31 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 126.532 2.395 . . . . 10.0 110.789 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' ' CG1' ' A' ' 43' ' ' ILE 0.294 3.1 ttpt -147.52 158.98 44.22 Favored 'General case' 0 N--CA 1.479 0.979 1 O-C-N 129.431 4.207 . . . . 10.0 109.335 179.9 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.521 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.7 OUTLIER -164.8 108.51 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 O-C-N 126.464 2.353 . . . . 10.0 111.046 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.727 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.301 28.8 mt -82.82 165.22 2.58 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.155 0 CA-C-N 110.648 -2.978 . . . . 10.0 110.876 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.612 ' N ' HG22 ' A' ' 43' ' ' ILE . 2.3 p -166.58 118.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.208 -1.09 0 O-C-N 127.644 3.09 . . . . 10.0 110.232 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -153.28 175.25 13.29 Favored 'General case' 0 CA--C 1.493 -1.243 0 CA-C-O 124.361 2.029 . . . . 10.0 115.154 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.98 10.39 3.9 Favored 'General case' 0 CA--C 1.499 -0.994 0 CA-C-N 109.315 -3.584 . . . . 10.0 116.409 -179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.77 54.23 0.36 Allowed Glycine 0 C--O 1.21 -1.365 0 O-C-N 121.117 -0.989 . . . . 10.0 113.998 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 67' ' ' VAL . 1.5 m-20 165.14 -68.3 0.0 OUTLIER 'General case' 0 N--CA 1.439 -1.007 0 O-C-N 125.275 1.221 . . . . 10.0 112.423 -179.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -106.88 129.55 54.7 Favored 'General case' 0 N--CA 1.451 -0.421 0 O-C-N 127.74 3.15 . . . . 10.0 115.514 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.443 ' CZ ' HG23 ' A' ' 67' ' ' VAL . 0.0 OUTLIER -118.23 134.16 55.26 Favored 'General case' 0 CA--C 1.507 -0.705 1 O-C-N 129.352 4.157 . . . . 10.0 114.079 179.845 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.08 84.83 2.33 Favored 'General case' 0 CA--C 1.481 -1.693 0 O-C-N 127.521 3.013 . . . . 10.0 113.591 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 t -100.61 146.3 27.31 Favored 'General case' 0 CA--C 1.489 -1.367 0 CA-C-N 108.541 -3.936 . . . . 10.0 112.29 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.77 145.25 46.37 Favored 'General case' 0 C--O 1.209 -1.048 0 N-CA-C 105.13 -2.174 . . . . 10.0 105.13 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.43 146.73 24.45 Favored 'General case' 0 CA--C 1.5 -0.956 0 O-C-N 127.412 2.945 . . . . 10.0 109.596 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -135.11 72.28 1.45 Allowed 'General case' 0 C--O 1.208 -1.08 0 C-N-CA 123.774 0.83 . . . . 10.0 111.939 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.577 ' CB ' H162 ' A' ' 135' ' ' RTL . 4.9 p -106.71 -171.38 1.88 Allowed 'General case' 0 C--N 1.312 -1.023 1 O-C-N 129.979 4.549 . . . . 10.0 106.742 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.49 -49.65 2.82 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 129.051 3.969 . . . . 10.0 110.046 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.791 ' CD1' HD13 ' A' ' 33' ' ' ILE . 17.2 t80 -57.36 -38.56 74.36 Favored 'General case' 0 C--N 1.357 0.911 0 N-CA-C 117.613 2.449 . . . . 10.0 117.613 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.475 ' HB3' ' H22' ' A' ' 135' ' ' RTL . 4.9 tpt180 -170.95 72.46 0.05 Allowed 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 125.597 2.618 . . . . 10.0 114.859 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.8 p-10 -50.64 140.09 15.03 Favored 'General case' 0 C--O 1.203 -1.359 0 CA-C-N 111.014 -2.812 . . . . 10.0 110.658 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' CD1' ' A' ' 78' ' ' LEU . 0.1 OUTLIER -172.16 170.96 5.05 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 109.834 -3.348 . . . . 10.0 111.267 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -123.84 158.08 32.66 Favored 'General case' 0 CA--C 1.506 -0.728 0 O-C-N 126.373 2.295 . . . . 10.0 112.309 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -122.67 41.72 3.36 Favored 'General case' 0 CA--C 1.501 -0.933 0 O-C-N 126.626 2.454 . . . . 10.0 113.753 -179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -59.57 143.65 49.7 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 118.252 -1.379 . . . . 10.0 109.613 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 24.7 t80 -172.26 155.11 3.49 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 125.296 2.474 . . . . 10.0 109.615 -179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.37 168.22 9.67 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 119.41 -2.056 . . . . 10.0 109.526 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.443 HG23 ' CZ ' ' A' ' 50' ' ' PHE . 17.2 t -80.69 108.62 14.24 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.698 0 O-C-N 128.031 3.332 . . . . 10.0 116.15 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.45 -7.2 13.04 Favored Glycine 0 CA--C 1.485 -1.791 0 C-N-CA 115.551 -3.214 . . . . 10.0 117.739 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 70.3 t -100.68 81.42 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.018 0 N-CA-C 105.381 -2.081 . . . . 10.0 105.381 -179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -30.39 124.29 0.18 Allowed 'General case' 0 CA--C 1.532 0.271 1 O-C-N 132.493 6.12 . . . . 10.0 111.876 179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.436 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 2.3 t80 -122.84 102.99 8.34 Favored 'General case' 0 CA--C 1.496 -1.109 1 O-C-N 129.11 4.006 . . . . 10.0 118.766 -179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.79 130.89 44.37 Favored 'General case' 0 C--N 1.315 -0.903 0 O-C-N 120.653 -1.279 . . . . 10.0 109.973 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -125.55 -178.12 4.14 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 127.041 3.305 . . . . 10.0 110.803 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 6.3 t-160 -138.49 101.14 4.28 Favored 'General case' 0 C--O 1.205 -1.288 1 CA-C-N 108.354 -4.021 . . . . 10.0 109.007 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.534 ' HB ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -78.78 7.09 7.57 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 109.405 -3.543 . . . . 10.0 116.207 -179.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.4 pttp -42.99 118.25 1.23 Allowed 'General case' 0 N--CA 1.468 0.472 0 O-C-N 128.48 3.613 . . . . 10.0 110.939 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 126.22 -43.24 1.38 Allowed Glycine 0 CA--C 1.531 1.045 0 CA-C-N 111.819 -2.446 . . . . 10.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.821 ' O ' HD11 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -93.92 19.41 9.02 Favored 'General case' 0 N--CA 1.468 0.471 1 O-C-N 132.016 5.186 . . . . 10.0 115.739 -179.949 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.567 ' HB2' HG13 ' A' ' 26' ' ' ILE . 0.4 OUTLIER 57.59 31.3 20.12 Favored 'General case' 0 CA--C 1.494 -1.197 0 CA-C-N 110.006 -3.27 . . . . 10.0 113.449 179.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.534 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -96.76 -56.28 1.17 Allowed Glycine 0 CA--C 1.484 -1.887 0 CA-C-O 123.88 1.822 . . . . 10.0 113.321 -179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? 69.61 -33.4 0.25 Allowed 'General case' 0 CA--C 1.5 -0.956 0 CA-C-N 112.463 -1.868 . . . . 10.0 114.64 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -168.95 104.93 0.41 Allowed 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 121.016 1.735 . . . . 10.0 114.488 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.4 m -135.23 158.35 40.7 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.845 0 CA-C-O 116.745 -1.598 . . . . 10.0 114.011 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.89 101.28 6.76 Favored 'General case' 0 CA--C 1.502 -0.874 1 O-C-N 130.241 4.713 . . . . 10.0 111.139 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.485 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.9 OUTLIER -81.57 123.91 29.06 Favored 'General case' 0 C--O 1.199 -1.602 0 O-C-N 125.875 1.985 . . . . 10.0 116.103 -179.807 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.615 HD23 ' C ' ' A' ' 86' ' ' LEU . 7.2 tt -134.17 135.71 43.26 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 126.228 2.205 . . . . 10.0 109.401 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.48 HG21 ' HB2' ' A' ' 94' ' ' LEU . 3.7 p -134.49 158.44 41.82 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.458 0 CA-C-O 125.078 2.371 . . . . 10.0 114.038 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.464 ' N ' HG22 ' A' ' 87' ' ' VAL 0.325 0.2 OUTLIER -150.37 117.2 5.86 Favored 'General case' 0 CA--C 1.475 -1.931 0 CA-C-N 108.549 -3.932 . . . . 10.0 111.835 -179.762 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.507 ' CZ3' ' HG2' ' A' ' 3' ' ' LYS . 27.3 m95 -54.79 150.55 9.64 Favored 'General case' 0 C--N 1.353 0.725 0 CA-C-O 114.061 -2.876 . . . . 10.0 104.718 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.19 40.79 0.97 Allowed 'General case' 0 CA--C 1.474 -1.948 1 O-C-N 129.963 4.539 . . . . 10.0 116.111 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.61 85.91 0.46 Allowed Glycine 0 C--N 1.363 2.073 0 CA-C-N 108.68 -3.873 . . . . 10.0 104.134 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 58.83 64.27 1.46 Allowed 'General case' 0 N--CA 1.429 -1.479 1 O-C-N 132.451 5.442 . . . . 10.0 107.234 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.587 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -159.54 -161.65 0.95 Allowed 'General case' 0 CA--C 1.518 -0.27 0 CA-C-N 109.617 -3.447 . . . . 10.0 114.033 -179.672 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.57 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.3 pp 169.23 60.99 0.0 OUTLIER 'General case' 0 CA--C 1.492 -1.262 0 CA-C-O 126.806 3.193 . . . . 10.0 112.232 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.645 HG22 ' HG2' ' A' ' 108' ' ' LYS . 92.8 t -56.05 91.41 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 108.711 -3.859 . . . . 10.0 117.299 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.625 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -76.0 177.8 6.78 Favored 'General case' 0 C--O 1.21 -0.987 0 N-CA-C 108.102 -1.073 . . . . 10.0 108.102 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.625 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER 176.31 112.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 C-N-CA 130.01 3.324 . . . . 10.0 115.936 179.698 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -87.25 150.76 23.68 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 118.563 -2.586 . . . . 10.0 110.724 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -127.3 41.96 3.42 Favored 'General case' 0 C--O 1.211 -0.935 0 CA-C-N 110.987 -2.824 . . . . 10.0 110.712 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -102.37 56.3 0.66 Allowed Glycine 0 C--O 1.204 -1.781 0 CA-C-O 127.258 3.699 . . . . 10.0 109.345 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 79.68 14.95 0.93 Allowed 'General case' 0 C--O 1.209 -1.075 0 CA-C-N 108.615 -3.792 . . . . 10.0 107.67 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.5 -67.18 0.86 Allowed 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 111.424 -2.625 . . . . 10.0 111.847 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 70.88 3.29 4.56 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 110.465 -3.062 . . . . 10.0 118.795 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -159.7 27.23 0.19 Allowed 'General case' 0 N--CA 1.481 1.122 0 O-C-N 127.778 3.174 . . . . 10.0 109.329 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttt-85 -95.19 70.3 3.22 Favored 'General case' 0 C--O 1.203 -1.361 0 CA-C-O 124.419 2.057 . . . . 10.0 108.1 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.82 152.83 17.38 Favored Glycine 0 N--CA 1.428 -1.899 1 CA-C-N 107.02 -4.627 . . . . 10.0 115.171 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.645 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.3 114.38 22.3 Favored 'General case' 0 N--CA 1.437 -1.123 0 O-C-N 129.724 3.838 . . . . 10.0 114.792 179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.645 ' HG2' HG22 ' A' ' 95' ' ' VAL . 26.6 mtpt -105.35 73.16 1.02 Allowed 'General case' 0 C--O 1.203 -1.357 0 CA-C-N 111.342 -2.663 . . . . 10.0 111.493 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.574 ' HB3' HD13 ' A' ' 118' ' ' LEU . 2.8 pt20 -93.11 76.89 4.65 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 111.996 -2.366 . . . . 10.0 107.882 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.599 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 2.3 p90 -73.31 127.67 33.31 Favored 'General case' 0 N--CA 1.482 1.125 0 C-N-CA 116.172 -2.211 . . . . 10.0 111.524 179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 92.9 t -74.96 140.52 17.34 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.376 1 CA-C-O 129.047 4.261 . . . . 10.0 116.826 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -146.84 32.1 0.94 Allowed 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 109.346 -3.57 . . . . 10.0 111.347 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 74.17 -162.26 54.15 Favored Glycine 0 CA--C 1.535 1.304 0 CA-C-N 111.639 -2.528 . . . . 10.0 110.683 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.453 ' HA ' ' HG3' ' A' ' 133' ' ' LYS . 12.5 p-10 -22.71 -34.03 0.0 OUTLIER 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 118.125 2.639 . . . . 10.0 118.125 179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -119.66 124.66 46.82 Favored 'General case' 0 C--N 1.31 -1.126 0 O-C-N 127.03 2.706 . . . . 10.0 108.844 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.87 145.15 31.47 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 128.423 3.577 . . . . 10.0 110.82 179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.599 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.9 m-85 -102.99 116.21 32.1 Favored 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 128.67 3.731 . . . . 10.0 116.134 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' CB ' ' A' ' 107' ' ' TRP . 21.0 tp -103.25 123.69 47.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 109.683 -3.417 . . . . 10.0 107.306 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.97 117.85 34.89 Favored 'General case' 0 CA--C 1.487 -1.46 0 C-N-CA 126.33 1.852 . . . . 10.0 110.005 -179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.44 ' HA ' HD23 ' A' ' 120' ' ' LEU . 5.0 mt -100.93 120.93 40.88 Favored 'General case' 0 N--CA 1.478 0.968 1 O-C-N 129.476 4.235 . . . . 10.0 108.247 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.8 p -93.63 10.69 31.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 110.272 -3.149 . . . . 10.0 109.641 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 13.4 p -46.24 150.26 0.63 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-O 124.169 1.937 . . . . 10.0 110.849 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.58 -166.54 0.34 Allowed Glycine 0 C--O 1.224 -0.504 0 CA-C-O 124.512 2.173 . . . . 10.0 111.937 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -70.35 -46.79 63.42 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 111.568 -2.316 . . . . 10.0 109.134 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.53 130.23 41.02 Favored 'General case' 0 N--CA 1.477 0.914 1 O-C-N 130.721 5.013 . . . . 10.0 106.903 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 64.2 t -78.85 149.05 5.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.356 0 CA-C-N 112.657 -2.065 . . . . 10.0 113.276 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.418 ' SG ' ' HB2' ' A' ' 120' ' ' LEU . 0.9 OUTLIER -131.36 161.38 32.51 Favored 'General case' 0 N--CA 1.485 1.303 0 O-C-N 119.009 -2.307 . . . . 10.0 106.265 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 18.8 ttm-85 -113.87 116.66 29.65 Favored 'General case' 0 CA--C 1.507 -0.685 0 C-N-CA 115.612 -2.435 . . . . 10.0 112.791 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.412 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.0 OUTLIER -80.91 172.32 13.9 Favored 'General case' 0 CA--C 1.493 -1.232 1 O-C-N 129.421 4.201 . . . . 10.0 112.459 -179.945 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 48.4 t -152.27 126.42 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 CA-C-O 124.996 2.332 . . . . 10.0 105.178 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.572 ' CE1' HD23 ' A' ' 118' ' ' LEU 0.278 2.7 m-85 -125.39 150.6 47.09 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-N 111.476 -2.602 . . . . 10.0 116.42 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.83 126.81 33.12 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 103.14 -2.911 . . . . 10.0 103.14 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.453 ' HG3' ' HA ' ' A' ' 114' ' ' ASP . 8.5 ptmt -121.16 170.97 9.04 Favored 'General case' 0 C--O 1.197 -1.695 0 N-CA-C 118.228 2.677 . . . . 10.0 118.228 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.525 0 CA-C-O 113.199 -3.286 . . . . 10.0 116.56 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.763 H171 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.518 2.957 0 CA-C-O 122.353 1.073 . . . . 10.0 110.23 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.64 163.75 35.65 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 122.803 1.287 . . . . 10.0 108.402 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.555 ' HD2' ' CZ3' ' A' ' 89' ' ' TRP . 32.0 pttt -65.45 156.39 32.53 Favored 'General case' 0 N--CA 1.435 -1.197 0 N-CA-C 114.766 1.395 . . . . 10.0 114.766 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -153.01 132.01 12.56 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 105.425 -2.065 . . . . 10.0 105.425 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 45' ' ' GLN . 1.0 OUTLIER -98.96 -77.32 0.52 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 113.508 -3.139 . . . . 10.0 102.711 -179.872 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -24.18 119.94 0.05 OUTLIER 'General case' 0 C--N 1.317 -0.843 1 O-C-N 129.96 4.537 . . . . 10.0 115.959 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.87 177.93 43.44 Favored Glycine 0 C--O 1.201 -1.924 0 CA-C-O 119.104 -0.831 . . . . 10.0 113.018 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.537 HG21 ' HE3' ' A' ' 133' ' ' LYS . 97.0 m -122.15 147.56 46.01 Favored 'General case' 0 C--O 1.205 -1.273 1 O-C-N 130.127 4.074 . . . . 10.0 103.842 -179.445 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.589 ' HB2' ' CD2' ' A' ' 131' ' ' PHE 0.256 0.0 OUTLIER -159.47 69.72 0.45 Allowed 'General case' 0 N--CA 1.481 1.099 1 O-C-N 130.767 5.042 . . . . 10.0 113.619 -179.363 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -48.97 91.67 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.088 0 O-C-N 124.21 0.943 . . . . 10.0 108.608 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.444 ' N ' ' O ' ' A' ' 9' ' ' TRP . 3.2 mtp -34.47 116.64 0.32 Allowed 'General case' 0 CA--C 1.512 -0.496 0 C-N-CA 127.453 2.301 . . . . 10.0 111.15 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.6 tt0 -72.44 -55.45 7.01 Favored 'General case' 0 N--CA 1.442 -0.857 1 O-C-N 129.366 4.166 . . . . 10.0 108.13 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.267 0.5 OUTLIER 164.93 169.66 0.02 OUTLIER 'General case' 0 N--CA 1.448 -0.545 0 O-C-N 126.645 2.465 . . . . 10.0 113.052 179.855 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.584 ' H ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -99.15 158.0 15.98 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 112.153 -2.294 . . . . 10.0 110.001 -179.665 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.06 -41.0 8.57 Favored 'General case' 0 CA--C 1.49 -1.328 1 O-C-N 131.533 5.521 . . . . 10.0 113.835 -179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -120.22 66.89 0.83 Allowed 'General case' 0 C--O 1.195 -1.779 0 CA-C-O 118.433 -0.794 . . . . 10.0 109.563 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.676 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -41.44 -39.87 1.61 Allowed 'General case' 0 C--O 1.206 -1.212 0 O-C-N 128.86 3.85 . . . . 10.0 110.015 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -66.95 -36.68 82.76 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 117.546 2.424 . . . . 10.0 117.546 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.12 -22.61 76.16 Favored Glycine 0 CA--C 1.485 -1.836 0 C-N-CA 115.3 -3.334 . . . . 10.0 111.644 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.547 ' CZ ' ' CD1' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -65.12 -44.78 87.61 Favored 'General case' 0 C--O 1.215 -0.733 0 CA-C-O 124.696 2.188 . . . . 10.0 108.433 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 tmm? -72.62 -20.66 61.24 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 109.249 -3.614 . . . . 10.0 114.548 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.24 -33.03 43.96 Favored 'General case' 0 C--O 1.207 -1.134 0 CA-C-N 109.678 -3.419 . . . . 10.0 111.72 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.674 ' HB1' ' SG ' ' A' ' 122' ' ' CYS . . . -79.9 -20.73 45.11 Favored 'General case' 0 C--O 1.204 -1.342 2 O-C-N 130.211 4.694 . . . . 10.0 113.533 -179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' ILE 0.317 33.8 tp -145.98 101.07 3.49 Favored 'General case' 0 CA--C 1.51 -0.578 2 O-C-N 131.237 5.336 . . . . 10.0 110.08 -179.312 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -79.12 69.89 5.39 Favored 'General case' 0 C--O 1.2 -1.55 1 CA-C-O 128.95 4.214 . . . . 10.0 109.325 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.72 ' CD1' HD23 ' A' ' 78' ' ' LEU . 4.2 tt -86.54 -34.52 7.95 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 1 CA-C-N 106.994 -4.639 . . . . 10.0 111.57 179.677 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.8 t70 149.36 155.66 0.0 OUTLIER 'General case' 0 C--O 1.235 0.308 0 CA-C-N 110.994 -2.821 . . . . 10.0 107.862 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 6.4 m-30 -71.5 -29.78 65.2 Favored 'General case' 0 CA--C 1.495 -1.141 0 N-CA-C 118.41 2.744 . . . . 10.0 118.41 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.57 -26.36 65.36 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-O 123.314 1.53 . . . . 10.0 110.415 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 HG21 ' A' ' 26' ' ' ILE . 28.1 m -54.56 -48.06 72.5 Favored 'General case' 0 C--N 1.348 0.519 0 N-CA-C 117.031 2.234 . . . . 10.0 117.031 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.617 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.78 -33.85 45.99 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 131.833 5.708 . . . . 10.0 110.408 179.829 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 1.9 tttt -76.55 -27.87 56.08 Favored 'General case' 0 CA--C 1.48 -1.745 0 O-C-N 128.059 3.349 . . . . 10.0 108.954 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.435 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -77.13 -46.41 28.79 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.384 0 O-C-N 125.523 1.764 . . . . 10.0 109.795 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -67.55 -23.42 65.42 Favored 'General case' 0 C--O 1.208 -1.083 0 CA-C-O 125.7 2.667 . . . . 10.0 113.804 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.676 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -58.99 -35.87 59.07 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.349 0 CA-C-N 110.604 -2.998 . . . . 10.0 115.278 -179.82 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.36 -6.76 8.19 Favored 'General case' 0 CA--C 1.506 -0.728 0 CA-C-N 113.079 -1.873 . . . . 10.0 115.415 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.459 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -59.94 -13.54 11.62 Favored 'General case' 0 N--CA 1.435 -1.205 0 CA-C-O 112.546 -3.597 . . . . 10.0 111.91 -178.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 30.26 61.83 0.19 Allowed 'General case' 0 CA--C 1.484 -1.565 1 O-C-N 131.344 5.403 . . . . 10.0 111.984 -179.729 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 8.2 pm0 -75.19 179.67 4.94 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 117.15 2.278 . . . . 10.0 117.15 -179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 79.4 m -105.51 143.95 32.95 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 126.647 2.467 . . . . 10.0 114.149 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' CE ' HG13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -152.69 150.38 29.39 Favored 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 116.318 -1.801 . . . . 10.0 108.762 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.423 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.2 OUTLIER -162.37 124.35 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 O-C-N 127.425 2.953 . . . . 10.0 112.561 179.884 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.494 HG22 ' H ' ' A' ' 44' ' ' VAL 0.367 15.8 mt -96.25 175.13 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.361 1.097 0 CA-C-N 110.917 -2.856 . . . . 10.0 111.337 179.863 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.494 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.6 p -165.89 135.75 0.69 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.151 0 CA-C-N 113.501 -1.682 . . . . 10.0 110.268 179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HB2' ' HB2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -111.43 131.14 55.42 Favored 'General case' 0 CA--C 1.488 -1.424 0 N-CA-C 118.313 2.709 . . . . 10.0 118.313 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -135.18 29.71 3.35 Favored 'General case' 0 CA--C 1.484 -1.565 0 CA-C-N 110.833 -2.894 . . . . 10.0 112.406 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.41 -100.04 0.65 Allowed Glycine 0 C--O 1.208 -1.489 0 CA-C-N 114.34 -1.3 . . . . 10.0 111.664 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.63 ' O ' HG22 ' A' ' 66' ' ' THR . 0.3 OUTLIER -130.55 24.06 5.1 Favored 'General case' 0 C--O 1.208 -1.108 0 CA-C-O 115.702 -2.094 . . . . 10.0 110.594 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -145.41 67.12 1.22 Allowed 'General case' 0 C--O 1.224 -0.276 0 O-C-N 127.648 3.093 . . . . 10.0 110.609 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.474 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 24.1 p90 -83.97 169.08 15.38 Favored 'General case' 0 CA--C 1.508 -0.645 1 O-C-N 129.622 4.326 . . . . 10.0 112.621 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -163.13 144.91 9.91 Favored 'General case' 0 C--O 1.198 -1.619 0 O-C-N 125.859 1.974 . . . . 10.0 112.957 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.282 0.1 OUTLIER -149.08 142.39 25.14 Favored 'General case' 0 CA--C 1.497 -1.087 1 O-C-N 129.635 4.334 . . . . 10.0 111.585 179.914 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.03 178.19 6.37 Favored 'General case' 0 CA--C 1.501 -0.923 0 O-C-N 128.958 3.911 . . . . 10.0 108.79 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.417 HG21 ' H10' ' A' ' 135' ' ' RTL . 41.8 p -122.76 163.99 19.15 Favored 'General case' 0 CA--C 1.492 -1.273 0 O-C-N 128.18 3.425 . . . . 10.0 112.126 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -143.71 76.2 1.5 Allowed 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 113.656 -1.611 . . . . 10.0 110.796 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.1 t -116.66 147.26 42.11 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 128.789 3.806 . . . . 10.0 105.825 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.67 -46.33 69.37 Favored 'General case' 0 C--O 1.213 -0.846 1 O-C-N 129.561 4.288 . . . . 10.0 107.363 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' HB3' ' H32' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.85 -71.68 0.06 Allowed 'General case' 0 C--N 1.359 0.99 0 CA-C-O 125.044 2.354 . . . . 10.0 115.109 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -141.87 150.19 41.24 Favored 'General case' 0 C--N 1.365 1.261 0 CA-C-N 111.491 -2.595 . . . . 10.0 114.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -101.23 122.4 43.59 Favored 'General case' 0 N--CA 1.442 -0.861 0 O-C-N 128.989 3.93 . . . . 10.0 106.738 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 78' ' ' LEU . 27.2 t80 -139.55 158.63 43.8 Favored 'General case' 0 C--O 1.223 -0.316 0 O-C-N 128.737 3.773 . . . . 10.0 108.73 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.05 129.22 9.66 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 127.292 2.87 . . . . 10.0 114.445 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 63' ' ' LEU . 0.3 OUTLIER -84.35 42.21 0.88 Allowed 'General case' 0 CA--C 1.499 -0.988 0 CA-C-O 123.903 1.811 . . . . 10.0 115.685 179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.67 118.89 5.31 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 107.964 -1.125 . . . . 10.0 107.964 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 87' ' ' VAL . 1.0 OUTLIER -173.97 144.03 0.99 Allowed 'General case' 0 CA--C 1.48 -1.725 0 CA-C-O 127.605 3.574 . . . . 10.0 107.693 -179.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -69.51 166.69 18.33 Favored 'General case' 0 CA--C 1.516 -0.346 0 O-C-N 118.539 -2.601 . . . . 10.0 110.582 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 67' ' ' VAL . 3.9 t -92.65 117.25 35.62 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.872 0 O-C-N 128.779 3.8 . . . . 10.0 113.433 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.3 4.19 35.65 Favored Glycine 0 N--CA 1.487 2.067 0 C-N-CA 117.556 -2.259 . . . . 10.0 116.646 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.525 ' O ' HG12 ' A' ' 69' ' ' VAL . 1.7 t -118.32 96.89 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 N-CA-C 102.269 -3.234 . . . . 10.0 102.269 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.257 0.0 OUTLIER -37.88 147.84 0.04 OUTLIER 'General case' 0 C--N 1.354 0.785 2 O-C-N 130.807 5.067 . . . . 10.0 116.254 -179.329 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -151.94 107.02 3.27 Favored 'General case' 0 C--N 1.352 0.684 1 O-C-N 129.434 4.209 . . . . 10.0 117.66 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -51.69 103.48 0.06 Allowed 'General case' 0 C--O 1.213 -0.826 0 N-CA-C 114.954 1.464 . . . . 10.0 114.954 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -97.64 -179.3 4.41 Favored 'General case' 0 CA--C 1.496 -1.131 1 CA-C-O 130.008 4.718 . . . . 10.0 111.756 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.49 151.2 28.65 Favored 'General case' 0 C--O 1.204 -1.339 0 CA-C-N 109.536 -3.483 . . . . 10.0 110.652 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.8 p -113.01 31.52 6.36 Favored 'General case' 0 C--O 1.197 -1.675 0 CA-C-N 113.205 -1.816 . . . . 10.0 109.803 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -20.47 35.94 Favored 'General case' 0 C--O 1.215 -0.734 1 O-C-N 130.531 4.894 . . . . 10.0 115.466 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -97.01 20.43 50.87 Favored Glycine 0 C--O 1.216 -1.023 0 CA-C-N 108.798 -3.819 . . . . 10.0 111.684 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.72 HD23 ' CD1' ' A' ' 26' ' ' ILE . 0.3 OUTLIER -148.23 -91.25 0.08 Allowed 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 111.489 -2.356 . . . . 10.0 115.129 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' OD2' ' NE ' ' A' ' 81' ' ' ARG . 3.8 t70 -108.97 -24.7 11.1 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 122.472 1.129 . . . . 10.0 112.638 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 94.4 31.77 7.75 Favored Glycine 0 CA--C 1.485 -1.813 0 N-CA-C 116.167 1.227 . . . . 10.0 116.167 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.458 ' NE ' ' HA ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -79.72 148.77 31.41 Favored 'General case' 0 C--O 1.215 -0.721 0 CA-C-N 110.137 -3.032 . . . . 10.0 108.556 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -107.78 119.13 38.57 Favored 'General case' 0 C--O 1.2 -1.516 0 N-CA-C 115.153 1.538 . . . . 10.0 115.153 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.9 m -141.59 176.61 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.555 0 O-C-N 128.193 3.433 . . . . 10.0 116.976 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.04 170.82 9.46 Favored 'General case' 0 C--N 1.332 -0.177 0 O-C-N 127.441 2.963 . . . . 10.0 107.538 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.406 HG22 ' CE2' ' A' ' 65' ' ' PHE . 54.8 m -151.49 141.13 21.74 Favored 'General case' 0 C--O 1.199 -1.557 0 O-C-N 128.84 3.837 . . . . 10.0 116.261 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 tt -145.38 143.79 30.31 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 126.9 2.625 . . . . 10.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 65' ' ' PHE . 1.4 t -140.22 160.61 25.66 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.785 0 CA-C-O 124.404 2.05 . . . . 10.0 111.092 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.472 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.282 62.5 m -158.46 123.95 4.42 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 110.833 -2.894 . . . . 10.0 108.652 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.555 ' CZ3' ' HD2' ' A' ' 3' ' ' LYS . 18.4 m95 -60.06 158.05 11.81 Favored 'General case' 0 N--CA 1.439 -1.003 0 C-N-CA 128.66 2.784 . . . . 10.0 107.884 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -120.9 -66.55 1.04 Allowed 'General case' 0 CA--C 1.492 -1.275 2 O-C-N 131.532 5.52 . . . . 10.0 113.625 -179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.39 55.36 0.02 OUTLIER Glycine 0 C--O 1.201 -1.916 0 CA-C-N 110.474 -3.057 . . . . 10.0 108.02 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.413 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 44.7 p30 133.74 -25.36 0.01 OUTLIER 'General case' 0 C--O 1.208 -1.098 1 O-C-N 130.211 4.124 . . . . 10.0 108.117 179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 94' ' ' LEU . 0.2 OUTLIER -107.69 173.35 6.36 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 128.224 2.609 . . . . 10.0 114.934 179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.459 ' H ' HG22 ' A' ' 93' ' ' THR . 0.8 OUTLIER -150.04 76.07 1.27 Allowed 'General case' 0 CA--C 1.489 -1.393 0 C-N-CA 130.094 3.358 . . . . 10.0 112.607 179.95 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.444 ' O ' HG12 ' A' ' 95' ' ' VAL . 2.3 t -51.53 123.65 3.29 Favored 'Isoleucine or valine' 0 C--N 1.363 1.171 0 CA-C-N 108.511 -3.95 . . . . 10.0 112.32 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.485 ' C ' HG22 ' A' ' 97' ' ' VAL . 40.4 t -112.59 157.83 20.72 Favored 'General case' 0 C--O 1.204 -1.305 0 O-C-N 128.872 3.857 . . . . 10.0 104.475 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.485 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -159.22 101.51 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 CA-C-O 124.643 2.163 . . . . 10.0 112.9 179.649 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.61 153.03 21.45 Favored 'General case' 0 C--N 1.346 0.414 0 O-C-N 119.228 -2.17 . . . . 10.0 110.205 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.504 ' HD3' ' HA ' ' A' ' 103' ' ' GLU . 14.5 mmtp -140.78 -177.64 5.16 Favored 'General case' 0 C--O 1.205 -1.244 0 O-C-N 128.147 3.405 . . . . 10.0 110.346 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.37 -92.66 0.67 Allowed Glycine 0 C--O 1.198 -2.154 0 N-CA-C 105.133 -3.187 . . . . 10.0 105.133 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -77.4 -25.22 50.64 Favored 'General case' 0 C--O 1.205 -1.283 0 CA-C-N 109.97 -3.115 . . . . 10.0 105.296 178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -99.44 169.97 8.95 Favored 'General case' 0 N--CA 1.427 -1.596 0 CA-C-N 110.805 -2.907 . . . . 10.0 111.447 179.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.504 ' HA ' ' HD3' ' A' ' 99' ' ' LYS . 1.1 mt-10 -155.7 8.77 0.26 Allowed 'General case' 0 N--CA 1.438 -1.074 0 O-C-N 127.611 3.069 . . . . 10.0 118.713 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -177.92 42.55 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 126.857 2.598 . . . . 10.0 109.006 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -98.29 91.98 5.49 Favored 'General case' 0 C--O 1.214 -0.764 0 O-C-N 125.856 1.972 . . . . 10.0 107.83 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.26 158.19 22.84 Favored Glycine 0 N--CA 1.445 -0.71 1 O-C-N 131.307 5.379 . . . . 10.0 114.822 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.726 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.253 0.0 OUTLIER -132.24 147.47 52.41 Favored 'General case' 0 C--O 1.196 -1.711 1 O-C-N 130.219 4.129 . . . . 10.0 113.851 -179.91 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 53.1 mttt -124.51 65.41 1.09 Allowed 'General case' 0 C--O 1.211 -0.971 1 CA-C-N 107.151 -4.568 . . . . 10.0 110.526 179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.721 ' HG2' HD11 ' A' ' 116' ' ' LEU . 16.0 tt0 -76.48 69.31 2.91 Favored 'General case' 0 C--O 1.245 0.831 1 CA-C-N 108.27 -4.059 . . . . 10.0 109.776 -179.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.428 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -90.15 131.9 35.74 Favored 'General case' 0 CA--C 1.479 -1.788 0 C-N-CA 117.691 -1.603 . . . . 10.0 113.324 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.1 t -75.38 138.55 20.69 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.329 0 CA-C-O 125.223 2.44 . . . . 10.0 114.206 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -127.07 -63.78 1.04 Allowed 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 111.766 -2.47 . . . . 10.0 112.943 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.62 85.73 0.05 OUTLIER Glycine 0 C--O 1.212 -1.233 0 O-C-N 119.01 -2.307 . . . . 10.0 114.671 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 59.01 36.39 24.37 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 116.076 -1.916 . . . . 10.0 112.594 179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.4 tptt -177.84 72.6 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.773 1 O-C-N 134.88 7.612 . . . . 10.0 109.884 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.721 HD11 ' HG2' ' A' ' 109' ' ' GLN . 0.2 OUTLIER -103.63 130.38 51.07 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 118.706 -1.197 . . . . 10.0 111.15 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.428 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.9 m-85 -93.03 116.32 28.94 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 127.81 3.194 . . . . 10.0 114.257 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.726 HD11 ' CB ' ' A' ' 107' ' ' TRP . 14.7 tp -100.83 105.56 16.86 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 127.817 3.198 . . . . 10.0 106.351 179.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 1.7 mt-10 -89.55 94.09 9.73 Favored 'General case' 0 CA--C 1.483 -1.609 0 O-C-N 125.479 1.737 . . . . 10.0 113.057 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.547 ' CD1' ' CZ ' ' A' ' 20' ' ' TYR . 10.5 mt -75.92 162.8 27.8 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 127.811 3.194 . . . . 10.0 106.546 178.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 16.8 p -149.22 24.95 0.91 Allowed 'General case' 0 C--O 1.2 -1.514 0 O-C-N 127.148 2.78 . . . . 10.0 110.9 -179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' ' HB1' ' A' ' 23' ' ' ALA . 5.4 t -80.22 156.04 27.08 Favored 'General case' 0 CA--C 1.486 -1.495 0 CA-C-O 125.056 2.36 . . . . 10.0 114.597 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 69.67 -179.97 25.21 Favored Glycine 0 C--O 1.22 -0.739 0 CA-C-N 110.911 -2.859 . . . . 10.0 112.776 179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -46.87 82.81 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.747 1.619 . . . . 10.0 110.334 -179.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -105.42 142.85 34.46 Favored 'General case' 0 N--CA 1.475 0.791 1 O-C-N 129.778 4.423 . . . . 10.0 107.961 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 58.8 t -84.28 143.51 11.63 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.894 0 N-CA-C 116.641 2.089 . . . . 10.0 116.641 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -120.2 -179.09 3.84 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 106.523 -1.658 . . . . 10.0 106.523 179.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -144.76 93.61 2.43 Favored 'General case' 0 CA--C 1.492 -1.268 0 O-C-N 127.507 3.004 . . . . 10.0 111.743 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.511 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 11.6 tp-100 -63.1 165.28 7.3 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 115.551 -2.46 . . . . 10.0 114.911 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.479 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 10.5 t -146.33 123.77 4.01 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 CA-C-O 124.489 2.09 . . . . 10.0 108.85 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.589 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.251 3.2 m-85 -113.27 170.68 8.05 Favored 'General case' 0 CA--C 1.479 -1.756 0 CA-C-N 109.449 -3.523 . . . . 10.0 114.019 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.293 5.2 ttpt 174.75 111.71 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 113.831 -2.985 . . . . 10.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.537 ' HE3' HG21 ' A' ' 8' ' ' THR . 0.0 OUTLIER 170.71 -150.81 0.01 OUTLIER 'General case' 0 C--O 1.21 -1.012 1 O-C-N 130.809 5.068 . . . . 10.0 113.695 178.755 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.481 -1.701 0 N-CA-C 117.851 2.537 . . . . 10.0 117.851 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.71 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.619 0 N-CA-C 105.321 -2.103 . . . . 10.0 105.321 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.0 m -87.58 -39.46 15.08 Favored 'General case' 0 C--O 1.202 -1.398 0 CA-C-N 111.682 -2.508 . . . . 10.0 107.209 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.494 ' HE3' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER -88.55 -70.65 0.63 Allowed 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 119.964 3.32 . . . . 10.0 119.964 -179.785 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 63.9 66.59 0.65 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 102.368 -3.197 . . . . 10.0 102.368 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -57.4 -88.24 0.0 OUTLIER 'General case' 0 C--N 1.311 -1.079 0 O-C-N 128.155 3.409 . . . . 10.0 108.825 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 31.95 83.31 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.811 0 O-C-N 127.354 2.909 . . . . 10.0 111.351 -179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -157.56 173.74 34.97 Favored Glycine 0 CA--C 1.539 1.542 0 CA-C-O 114.499 -3.389 . . . . 10.0 114.147 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.547 ' HB ' ' HD2' ' A' ' 133' ' ' LYS . 13.3 m -107.06 146.18 31.49 Favored 'General case' 0 C--O 1.209 -1.053 1 O-C-N 134.955 6.915 . . . . 10.0 106.114 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.641 ' CD1' ' HE2' ' A' ' 41' ' ' LYS 0.295 0.0 OUTLIER -155.67 70.82 0.73 Allowed 'General case' 0 CA--C 1.49 -1.348 0 O-C-N 125.672 1.857 . . . . 10.0 112.361 -178.672 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' HG2' HG23 ' A' ' 40' ' ' THR 0.291 5.4 mm-40 -50.72 97.63 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 O-C-N 125.141 1.525 . . . . 10.0 110.011 179.492 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.484 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -38.65 141.64 0.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 128.58 3.675 . . . . 10.0 109.032 -179.769 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -100.9 -59.98 1.6 Allowed 'General case' 0 C--O 1.206 -1.233 1 O-C-N 130.66 4.975 . . . . 10.0 111.259 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.326 0.2 OUTLIER -165.21 -170.76 1.99 Allowed 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 108.788 -3.824 . . . . 10.0 110.305 -179.736 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.502 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 1.0 OUTLIER -152.7 164.27 38.07 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 110.723 -2.944 . . . . 10.0 110.553 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -119.67 171.38 8.43 Favored 'General case' 0 CA--C 1.497 -1.084 2 O-C-N 132.787 6.305 . . . . 10.0 108.095 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.45 ' HB3' ' HB2' ' A' ' 127' ' ' CYS . 2.3 t-20 39.81 38.0 0.4 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 125.88 1.988 . . . . 10.0 108.472 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.76 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -28.18 -38.29 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.838 1 O-C-N 129.517 4.261 . . . . 10.0 112.925 -179.576 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 16' ' ' ASN . 7.9 pt-20 -63.58 -45.0 92.41 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 112.98 -1.918 . . . . 10.0 116.085 179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 16' ' ' ASN . . . -72.7 -20.2 79.56 Favored Glycine 0 N--CA 1.478 1.496 0 O-C-N 128.24 3.462 . . . . 10.0 106.208 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.6 t80 -73.94 -36.52 64.65 Favored 'General case' 0 N--CA 1.492 1.628 0 CA-C-O 123.332 1.539 . . . . 10.0 107.717 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.0 tmm? -77.29 -33.24 55.78 Favored 'General case' 0 CA--C 1.492 -1.266 0 CA-C-N 112.127 -2.306 . . . . 10.0 113.081 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.88 -22.94 66.56 Favored 'General case' 0 C--O 1.203 -1.385 0 C-N-CA 129.088 2.955 . . . . 10.0 116.273 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.77 -21.11 60.33 Favored 'General case' 0 C--O 1.207 -1.163 0 O-C-N 127.548 3.03 . . . . 10.0 113.294 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.568 HD12 ' HB ' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -162.31 96.7 0.98 Allowed 'General case' 0 C--O 1.213 -0.839 1 CA-C-N 107.365 -4.471 . . . . 10.0 109.1 179.071 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -53.77 87.8 0.0 OUTLIER 'General case' 0 C--O 1.2 -1.504 0 CA-C-O 128.414 3.959 . . . . 10.0 107.227 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.662 HG21 HG21 ' A' ' 30' ' ' THR . 2.4 tt -95.6 -34.42 5.27 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-N 110.371 -3.104 . . . . 10.0 113.134 -179.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 23.6 t70 139.13 157.59 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 111.299 -2.682 . . . . 10.0 108.366 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.419 ' CD1' ' C ' ' A' ' 28' ' ' PHE . 0.2 OUTLIER -69.08 -21.1 64.09 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 117.155 2.279 . . . . 10.0 117.155 179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.71 -21.0 65.45 Favored 'General case' 0 C--N 1.365 1.25 0 O-C-N 120.579 -1.326 . . . . 10.0 110.416 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.662 HG21 HG21 ' A' ' 26' ' ' ILE . 23.7 m -67.58 -37.21 82.28 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 111.372 -2.649 . . . . 10.0 113.862 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -74.43 -40.33 62.02 Favored 'General case' 0 CA--C 1.491 -1.31 1 O-C-N 131.676 5.61 . . . . 10.0 110.248 -179.57 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 13.1 tttt -72.6 -32.15 65.75 Favored 'General case' 0 C--O 1.205 -1.266 0 C-N-CA 117.358 -1.737 . . . . 10.0 111.178 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.568 HG22 HD12 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -75.35 -40.58 42.77 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.673 0 O-C-N 127.818 3.199 . . . . 10.0 108.423 -179.662 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.32 -21.97 58.03 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 126.012 2.07 . . . . 10.0 112.852 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.76 HG22 ' CD2' ' A' ' 17' ' ' PHE . 2.0 t -63.85 -35.58 73.71 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.47 0 CA-C-N 108.767 -3.833 . . . . 10.0 116.278 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.91 -0.16 10.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 111.356 -2.656 . . . . 10.0 115.203 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.568 HD12 HG22 ' A' ' 33' ' ' ILE . 0.6 OUTLIER -57.97 129.53 42.37 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 127.571 3.044 . . . . 10.0 110.19 179.693 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.43 ' H ' HD23 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -119.61 47.88 1.63 Allowed 'General case' 0 C--N 1.31 -1.127 1 O-C-N 133.904 7.002 . . . . 10.0 111.406 179.905 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' HG2' ' HB2' ' A' ' 11' ' ' MET . 11.6 pt20 -61.83 169.35 2.57 Favored 'General case' 0 CA--C 1.493 -1.213 0 C-N-CA 118.458 -1.297 . . . . 10.0 112.839 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.426 HG23 ' HG2' ' A' ' 10' ' ' GLU . 0.9 OUTLIER -110.54 131.04 55.4 Favored 'General case' 0 C--O 1.207 -1.132 0 O-C-N 128.279 3.487 . . . . 10.0 112.229 -179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.641 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 14.0 ttpt -139.52 154.36 47.66 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 127.881 3.238 . . . . 10.0 109.662 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.491 HD13 HG21 ' A' ' 42' ' ' ILE . 0.9 OUTLIER -162.2 118.71 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 C-N-CA 114.82 -2.752 . . . . 10.0 111.553 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.524 HG22 ' N ' ' A' ' 44' ' ' VAL 0.284 53.7 mt -86.34 171.1 1.19 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.274 0 C-N-CA 127.427 2.291 . . . . 10.0 108.838 -179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.539 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.1 p -166.97 56.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.409 0 C-N-CA 114.151 -3.02 . . . . 10.0 114.594 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -25.48 135.19 0.02 OUTLIER 'General case' 0 CA--C 1.505 -0.753 0 N-CA-C 118.842 2.904 . . . . 10.0 118.842 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -138.45 22.13 2.74 Favored 'General case' 0 CA--C 1.494 -1.181 1 O-C-N 129.278 4.112 . . . . 10.0 116.848 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.35 -75.62 0.36 Allowed Glycine 0 C--O 1.2 -1.989 0 CA-C-O 123.33 1.517 . . . . 10.0 115.686 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.18 18.97 2.6 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 110.973 -2.613 . . . . 10.0 111.485 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -164.11 83.5 0.43 Allowed 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 124.994 1.434 . . . . 10.0 111.198 179.652 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.523 ' CE2' HG22 ' A' ' 67' ' ' VAL . 21.9 p90 -79.86 171.62 14.87 Favored 'General case' 0 CA--C 1.485 -1.538 1 O-C-N 131.271 5.357 . . . . 10.0 112.63 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -149.63 124.56 9.95 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 115.995 1.85 . . . . 10.0 115.995 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.28 3.3 t -136.76 153.38 50.86 Favored 'General case' 0 C--N 1.358 0.972 1 O-C-N 130.063 4.602 . . . . 10.0 112.843 -179.858 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.82 173.46 11.61 Favored 'General case' 0 CA--C 1.49 -1.33 0 O-C-N 127.273 2.858 . . . . 10.0 107.214 179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.453 HG21 ' H10' ' A' ' 135' ' ' RTL . 1.9 p -120.25 164.34 16.41 Favored 'General case' 0 CA--C 1.495 -1.146 0 O-C-N 126.504 2.378 . . . . 10.0 110.24 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -137.43 47.99 2.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 125.936 2.023 . . . . 10.0 114.009 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -88.59 119.47 29.07 Favored 'General case' 0 C--N 1.318 -0.78 1 O-C-N 130.317 4.761 . . . . 10.0 108.178 -179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.0 m -54.45 -30.71 53.63 Favored 'General case' 0 C--O 1.21 -1.001 1 O-C-N 129.34 4.15 . . . . 10.0 109.292 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.54 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -73.35 -38.63 65.67 Favored 'General case' 0 C--N 1.367 1.327 0 O-C-N 127.877 3.235 . . . . 10.0 115.48 -179.806 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.06 140.32 0.88 Allowed 'General case' 0 C--N 1.357 0.93 0 CA-C-N 110.642 -2.981 . . . . 10.0 114.856 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -97.93 135.84 39.08 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 126.892 2.62 . . . . 10.0 106.772 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.3 t80 -152.45 126.79 9.27 Favored 'General case' 0 C--N 1.319 -0.744 1 O-C-N 131.064 5.227 . . . . 10.0 110.715 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -110.71 130.39 55.58 Favored 'General case' 0 C--O 1.202 -1.408 0 O-C-N 126.131 2.144 . . . . 10.0 112.478 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -101.14 36.49 1.97 Allowed 'General case' 0 N--CA 1.445 -0.697 0 N-CA-C 114.927 1.455 . . . . 10.0 114.927 -179.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.73 119.34 6.01 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 104.894 -2.261 . . . . 10.0 104.894 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' A' ' 66' ' ' THR . 20.7 t80 -153.58 143.05 21.68 Favored 'General case' 0 CA--C 1.505 -0.762 1 CA-C-O 130.117 4.77 . . . . 10.0 110.803 -179.928 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -74.03 128.39 35.39 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 108.794 -3.821 . . . . 10.0 106.312 179.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG11 ' HE1' ' A' ' 89' ' ' TRP . 17.3 t -72.67 92.23 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 O-C-N 126.075 2.11 . . . . 10.0 115.711 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 106.63 -12.18 42.55 Favored Glycine 0 CA--C 1.492 -1.396 1 O-C-N 129.52 4.263 . . . . 10.0 116.064 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.6 100.02 9.33 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.604 0 CA-C-O 123.733 1.73 . . . . 10.0 106.855 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -40.39 145.84 0.16 Allowed 'General case' 0 C--N 1.363 1.189 0 CA-C-N 108.999 -3.728 . . . . 10.0 116.238 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 43.0 t80 -148.19 108.63 4.14 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 128.378 3.549 . . . . 10.0 118.133 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.5 p-10 -60.55 128.1 34.99 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 114.876 1.435 . . . . 10.0 114.876 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.461 ' CB ' HG22 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -118.84 174.2 6.43 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 126.506 3.051 . . . . 10.0 109.986 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.69 129.71 18.47 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.427 -1.715 . . . . 10.0 112.415 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.2 p -98.08 33.11 2.23 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 115.489 -0.778 . . . . 10.0 111.368 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -42.68 -64.5 0.6 Allowed 'General case' 0 CA--C 1.51 -0.587 0 N-CA-C 115.182 1.549 . . . . 10.0 115.182 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -44.9 -46.99 9.46 Favored Glycine 0 C--O 1.205 -1.697 0 CA-C-N 112.977 -1.92 . . . . 10.0 111.074 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mp -67.32 -97.32 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 O-C-N 128.309 3.005 . . . . 10.0 115.102 179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -122.82 8.03 9.38 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 119.764 -0.775 . . . . 10.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 44.88 106.81 0.01 OUTLIER Glycine 0 CA--C 1.497 -1.048 0 C-N-CA 127.862 2.648 . . . . 10.0 116.845 179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.489 ' NH1' ' HB3' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -134.77 -90.32 0.34 Allowed 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 116.695 -1.621 . . . . 10.0 114.354 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 153.25 123.08 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.037 0 O-C-N 126.135 2.147 . . . . 10.0 108.489 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 HG22 ' CB ' ' A' ' 73' ' ' GLU . 0.8 OUTLIER -140.1 163.53 23.9 Favored 'Isoleucine or valine' 0 C--N 1.364 1.213 0 O-C-N 125.426 1.704 . . . . 10.0 112.494 -179.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.65 95.91 3.14 Favored 'General case' 0 CA--C 1.497 -1.089 1 O-C-N 132.001 5.813 . . . . 10.0 109.613 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 20.1 m -69.93 134.38 48.33 Favored 'General case' 0 C--O 1.213 -0.847 0 C-N-CA 126.994 2.118 . . . . 10.0 114.725 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -152.99 136.36 15.81 Favored 'General case' 0 C--O 1.217 -0.626 0 O-C-N 129.043 3.965 . . . . 10.0 112.649 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.678 HG23 ' N ' ' A' ' 96' ' ' CYS . 0.4 OUTLIER -144.27 154.86 15.17 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 O-C-N 120.47 -1.393 . . . . 10.0 109.505 -179.755 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.4 p -149.71 109.26 4.01 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 111.91 -2.404 . . . . 10.0 109.671 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.615 ' HE1' HG11 ' A' ' 67' ' ' VAL . 16.0 m95 -41.89 132.97 2.98 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 114.626 -2.607 . . . . 10.0 108.881 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -129.75 68.67 1.43 Allowed 'General case' 0 C--N 1.308 -1.205 1 CA-C-O 131.382 5.372 . . . . 10.0 116.74 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.92 -87.07 1.35 Allowed Glycine 0 CA--C 1.542 1.771 0 CA-C-N 108.691 -3.868 . . . . 10.0 104.345 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -130.01 67.66 1.46 Allowed 'General case' 0 C--O 1.206 -1.202 1 O-C-N 132.462 5.448 . . . . 10.0 105.802 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -174.7 178.47 1.88 Allowed 'General case' 0 C--O 1.204 -1.291 0 CA-C-N 110.413 -3.085 . . . . 10.0 112.461 -179.855 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -164.27 67.89 0.16 Allowed 'General case' 0 CA--C 1.498 -1.035 0 O-C-N 127.926 3.266 . . . . 10.0 110.797 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.516 ' C ' HG23 ' A' ' 87' ' ' VAL . 70.1 t -56.86 90.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.887 1 CA-C-N 107.248 -4.524 . . . . 10.0 114.87 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.678 ' N ' HG23 ' A' ' 87' ' ' VAL . 1.9 t -94.16 149.13 21.52 Favored 'General case' 0 C--O 1.21 -0.988 0 O-C-N 125.922 2.014 . . . . 10.0 108.839 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG13 ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -154.44 -179.45 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.484 -1.578 1 O-C-N 129.385 4.178 . . . . 10.0 114.143 179.697 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -139.19 153.58 47.91 Favored 'General case' 0 C--N 1.358 0.949 0 O-C-N 119.902 -1.748 . . . . 10.0 109.391 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 23.8 mmtm -128.23 1.01 5.77 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 116.18 -1.866 . . . . 10.0 113.323 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -37.2 -75.48 0.08 OUTLIER Glycine 0 C--O 1.219 -0.827 0 CA-C-O 127.378 3.765 . . . . 10.0 112.761 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -147.05 34.28 0.9 Allowed 'General case' 0 C--O 1.21 -1.007 0 CA-C-O 127.429 3.49 . . . . 10.0 107.746 179.604 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.58 -64.58 1.27 Allowed 'General case' 0 C--O 1.208 -1.103 0 CA-C-N 109.486 -3.506 . . . . 10.0 115.435 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.506 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 37.8 mt-10 60.2 13.97 4.24 Favored 'General case' 0 C--O 1.213 -0.861 0 CA-C-N 110.163 -3.199 . . . . 10.0 115.978 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -171.31 33.13 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 1 O-C-N 129.178 4.049 . . . . 10.0 109.233 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 28.4 ttt-85 -101.47 78.08 1.83 Allowed 'General case' 0 C--O 1.202 -1.428 0 CA-C-N 120.635 1.561 . . . . 10.0 111.858 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.679 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -120.85 170.57 14.51 Favored Glycine 0 C--O 1.205 -1.701 1 O-C-N 130.008 4.567 . . . . 10.0 117.373 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.941 ' HB2' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -132.58 93.04 3.16 Favored 'General case' 0 C--O 1.214 -0.786 1 O-C-N 130.332 4.196 . . . . 10.0 118.012 -179.973 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -72.88 79.39 1.15 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-O 127.807 3.67 . . . . 10.0 110.95 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.439 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.5 tt0 -95.42 97.24 9.66 Favored 'General case' 0 CA--C 1.498 -1.021 1 CA-C-N 108.022 -4.172 . . . . 10.0 110.303 -179.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.2 OUTLIER -108.29 91.91 3.84 Favored 'General case' 0 CA--C 1.473 -1.993 0 CA-C-O 126.794 3.188 . . . . 10.0 111.042 179.503 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 54.8 t -37.2 125.72 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-O 128.167 3.842 . . . . 10.0 119.018 -179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -130.39 37.21 3.88 Favored 'General case' 0 CA--C 1.481 -1.679 0 CA-C-N 111.394 -2.639 . . . . 10.0 112.293 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 115' ' ' LYS . . . 62.23 -157.48 36.27 Favored Glycine 0 C--O 1.21 -1.39 0 CA-C-O 117.226 -1.874 . . . . 10.0 111.515 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -62.03 73.34 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.704 0 CA-C-O 115.949 -1.977 . . . . 10.0 113.334 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' N ' ' O ' ' A' ' 113' ' ' GLY . 0.0 OUTLIER 141.24 113.62 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.886 1 O-C-N 131.42 5.45 . . . . 10.0 105.743 179.939 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -144.92 163.78 33.11 Favored 'General case' 0 CA--C 1.496 -1.121 0 C-N-CA 116.54 -2.064 . . . . 10.0 111.936 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.549 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 9.8 m-85 -106.34 136.36 46.21 Favored 'General case' 0 C--O 1.203 -1.376 1 O-C-N 129.21 4.069 . . . . 10.0 112.852 -179.832 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.941 HD11 ' HB2' ' A' ' 107' ' ' TRP . 50.4 tp -131.02 88.72 2.64 Favored 'General case' 0 C--N 1.36 1.063 0 CA-C-N 109.373 -3.558 . . . . 10.0 107.723 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.66 122.13 26.16 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 123.674 0.79 . . . . 10.0 111.069 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.679 HD13 ' O ' ' A' ' 106' ' ' GLY . 3.5 mm? -97.72 153.12 18.46 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 125.305 1.628 . . . . 10.0 109.523 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.7 p -127.67 18.17 6.83 Favored 'General case' 0 C--O 1.199 -1.555 0 CA-C-N 112.968 -1.923 . . . . 10.0 106.093 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.674 ' SG ' HD12 ' A' ' 120' ' ' LEU 0.268 80.8 m -49.56 107.7 0.16 Allowed 'General case' 0 CA--C 1.5 -0.96 0 O-C-N 124.35 1.032 . . . . 10.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 79.48 -169.06 53.34 Favored Glycine 0 C--O 1.219 -0.808 0 O-C-N 128.396 3.56 . . . . 10.0 112.48 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.03 -37.33 69.06 Favored 'General case' 0 C--O 1.212 -0.874 0 CA-C-N 110.643 -2.779 . . . . 10.0 110.61 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.41 -179.06 7.29 Favored 'General case' 0 C--O 1.204 -1.302 0 O-C-N 127.517 3.011 . . . . 10.0 107.318 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 77.8 t -130.3 100.26 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.344 0 CA-C-N 112.521 -2.127 . . . . 10.0 113.478 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 16' ' ' ASN . 0.1 OUTLIER -93.99 158.87 15.43 Favored 'General case' 0 N--CA 1.486 1.374 0 C-N-CA 118.199 -1.4 . . . . 10.0 110.253 179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -114.58 115.18 26.77 Favored 'General case' 0 CA--C 1.504 -0.82 0 N-CA-C 115.504 1.668 . . . . 10.0 115.504 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.606 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -86.49 148.61 25.46 Favored 'General case' 0 CA--C 1.497 -1.07 0 C-N-CA 114.644 -2.822 . . . . 10.0 111.444 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.86 131.47 61.85 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.423 0 CA-C-O 126.314 2.959 . . . . 10.0 104.828 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.484 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.267 3.1 m-85 -121.92 178.77 4.75 Favored 'General case' 0 CA--C 1.482 -1.635 0 CA-C-N 110.265 -3.152 . . . . 10.0 115.405 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' ' 133' ' ' LYS 0.285 11.1 ttpt 175.85 149.64 0.11 Allowed 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 112.776 -3.487 . . . . 10.0 108.842 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.566 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 126.78 -152.96 0.0 OUTLIER 'General case' 0 C--N 1.309 -1.192 1 O-C-N 135.868 8.23 . . . . 10.0 112.433 179.163 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.506 ' N ' ' HD2' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.744 0 N-CA-C 118.479 2.77 . . . . 10.0 118.479 -177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.614 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.4 mtm . . . . . 0 N--CA 1.489 1.493 0 CA-C-O 122.357 1.075 . . . . 10.0 108.132 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.8 126.81 31.43 Favored 'General case' 0 C--O 1.203 -1.371 0 CA-C-N 113.997 -1.456 . . . . 10.0 107.837 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.26 168.01 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.9 1 O-C-N 129.997 4.56 . . . . 10.0 117.169 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -179.53 78.82 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 104.899 -2.26 . . . . 10.0 104.899 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.505 ' OE1' HD13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -61.29 -56.19 23.31 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 104.241 -2.503 . . . . 10.0 104.241 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.45 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.2 OUTLIER -29.14 100.39 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.48 2.312 . . . . 10.0 112.075 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.64 -120.82 0.98 Allowed Glycine 0 C--O 1.207 -1.59 0 CA-C-O 115.45 -2.861 . . . . 10.0 114.86 -179.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.655 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 96.9 m 174.23 150.36 0.09 Allowed 'General case' 0 C--O 1.202 -1.418 1 O-C-N 134.653 6.737 . . . . 10.0 104.75 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.763 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -170.09 100.1 0.29 Allowed 'General case' 0 CA--C 1.492 -1.282 1 O-C-N 129.282 4.114 . . . . 10.0 113.358 -178.751 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.94 121.01 14.11 Favored 'General case' 0 N--CA 1.484 1.238 0 CA-C-O 116.783 -1.58 . . . . 10.0 108.21 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.481 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 7.2 mtp -56.56 145.31 28.58 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 114.568 -2.634 . . . . 10.0 104.847 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -117.22 -62.66 1.54 Allowed 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.557 4.286 . . . . 10.0 111.009 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.95 -179.89 6.9 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 109.227 -3.624 . . . . 10.0 112.714 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.529 ' N ' ' ND2' ' A' ' 14' ' ' ASN . 0.0 OUTLIER -155.18 150.55 27.17 Favored 'General case' 0 CA--C 1.486 -1.514 1 O-C-N 129.186 4.054 . . . . 10.0 112.09 -179.967 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.453 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 10.4 mm-40 -80.98 -66.91 0.83 Allowed 'General case' 0 CA--C 1.493 -1.246 0 O-C-N 128.833 3.833 . . . . 10.0 110.982 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.9 m-20 -98.0 106.33 18.61 Favored 'General case' 0 C--O 1.202 -1.406 0 CA-C-N 114.689 -1.142 . . . . 10.0 108.573 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.662 ' CD2' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -79.07 -24.92 43.19 Favored 'General case' 0 C--O 1.204 -1.292 0 CA-C-O 127.194 3.378 . . . . 10.0 107.185 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.27 14.5 tt0 -63.07 -33.38 75.31 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-N 110.923 -2.853 . . . . 10.0 117.232 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.66 -38.09 51.28 Favored Glycine 0 N--CA 1.475 1.266 0 C-N-CA 117.221 -2.419 . . . . 10.0 110.347 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.429 ' CE1' HD12 ' A' ' 120' ' ' LEU . 2.7 m-85 -62.67 -27.06 68.97 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 122.687 1.232 . . . . 10.0 109.602 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -79.81 -28.63 40.19 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 116.681 -2.007 . . . . 10.0 111.785 -179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -23.48 49.72 Favored 'General case' 0 C--O 1.203 -1.352 1 O-C-N 130.842 5.089 . . . . 10.0 116.107 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 24' ' ' LEU . . . -67.1 -20.85 65.86 Favored 'General case' 0 C--O 1.2 -1.506 0 O-C-N 127.852 3.22 . . . . 10.0 111.283 179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD23 ' CB ' ' A' ' 23' ' ' ALA 0.271 0.1 OUTLIER -168.23 91.24 0.3 Allowed 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 108.76 -3.836 . . . . 10.0 108.412 179.993 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -60.55 82.69 0.01 OUTLIER 'General case' 0 C--O 1.201 -1.483 0 CA-C-O 128.235 3.874 . . . . 10.0 110.266 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.424 HD13 HG21 ' A' ' 26' ' ' ILE . 2.1 mt -79.19 -55.7 8.9 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.226 0 CA-C-N 109.912 -3.313 . . . . 10.0 108.287 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 168.25 -171.48 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 111.402 -2.635 . . . . 10.0 109.7 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -79.92 -22.63 42.5 Favored 'General case' 0 C--O 1.212 -0.903 0 O-C-N 125.446 1.716 . . . . 10.0 110.248 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.95 69.85 Favored 'General case' 0 C--O 1.201 -1.498 0 CA-C-N 111.573 -2.558 . . . . 10.0 112.145 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.3 m -53.73 -55.69 23.98 Favored 'General case' 0 C--O 1.209 -1.047 0 CA-C-N 112.388 -2.187 . . . . 10.0 116.504 179.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -73.67 -39.27 64.54 Favored 'General case' 0 C--N 1.312 -1.023 1 O-C-N 133.95 7.031 . . . . 10.0 112.578 -179.768 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.462 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 11.1 ttpt -72.35 -26.89 62.09 Favored 'General case' 0 CA--C 1.48 -1.731 0 O-C-N 125.076 1.485 . . . . 10.0 111.386 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.429 HG12 ' CE1' ' A' ' 58' ' ' PHE . 0.2 OUTLIER -79.01 -46.8 23.46 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.731 0 CA-C-N 110.515 -3.038 . . . . 10.0 109.557 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.23 -26.77 62.15 Favored 'General case' 0 CA--C 1.51 -0.592 0 CA-C-N 112.898 -1.956 . . . . 10.0 112.823 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.3 t -50.87 -42.03 22.65 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 CA-C-N 112.884 -1.962 . . . . 10.0 112.793 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -109.59 -22.85 11.77 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 127.691 3.119 . . . . 10.0 115.148 -179.51 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' N ' ' HG2' ' A' ' 36' ' ' ARG . 0.4 OUTLIER -56.05 126.67 26.93 Favored 'General case' 0 C--O 1.211 -0.941 0 O-C-N 127.542 3.026 . . . . 10.0 109.544 -179.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -107.27 34.42 3.5 Favored 'General case' 0 N--CA 1.484 1.263 1 O-C-N 132.3 6.0 . . . . 10.0 110.696 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' HG3' ' HB2' ' A' ' 11' ' ' MET . 0.0 OUTLIER -51.7 163.37 0.31 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 113.735 1.013 . . . . 10.0 113.735 -179.618 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.1 m -95.44 146.08 24.68 Favored 'General case' 0 N--CA 1.431 -1.381 1 O-C-N 132.491 6.119 . . . . 10.0 112.576 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' CD ' ' CD1' ' A' ' 9' ' ' TRP 0.278 0.2 OUTLIER -155.45 157.9 37.71 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 127.723 3.139 . . . . 10.0 105.498 179.804 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.685 HD13 ' C ' ' A' ' 42' ' ' ILE . 0.0 OUTLIER -172.22 138.48 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 114.039 -3.064 . . . . 10.0 112.776 -179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.763 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.271 36.5 mt -110.95 160.3 10.28 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.999 0 CA-C-N 110.21 -3.177 . . . . 10.0 112.042 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.532 ' N ' HG22 ' A' ' 43' ' ' ILE . 4.8 p -163.73 150.19 3.08 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.632 0 CA-C-N 112.674 -2.057 . . . . 10.0 110.714 -179.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -169.19 178.42 4.39 Favored 'General case' 0 CA--C 1.491 -1.29 0 N-CA-C 118.664 2.838 . . . . 10.0 118.664 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -138.57 17.47 2.72 Favored 'General case' 0 CA--C 1.507 -0.701 2 CA-C-N 106.976 -4.647 . . . . 10.0 111.017 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 94.61 104.94 1.91 Allowed Glycine 0 C--O 1.208 -1.502 0 N-CA-C 115.978 1.151 . . . . 10.0 115.978 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 69.48 49.59 0.56 Allowed 'General case' 0 N--CA 1.437 -1.077 0 CA-C-O 115.43 -2.224 . . . . 10.0 113.044 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 p30 171.5 50.36 0.0 OUTLIER 'General case' 0 C--N 1.355 0.827 0 O-C-N 127.949 3.281 . . . . 10.0 111.321 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.484 ' CD1' ' C ' ' A' ' 50' ' ' PHE 0.275 1.7 p90 -78.01 145.21 36.09 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 125.99 2.056 . . . . 10.0 115.937 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 8.6 tmtt? -134.37 127.05 30.86 Favored 'General case' 0 C--O 1.202 -1.447 0 O-C-N 125.603 1.815 . . . . 10.0 111.753 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.426 ' HB ' HG12 ' A' ' 43' ' ' ILE . 2.7 t -142.71 146.61 34.53 Favored 'General case' 0 CA--C 1.492 -1.254 0 O-C-N 128.898 3.874 . . . . 10.0 113.442 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.1 152.09 36.76 Favored 'General case' 0 CA--C 1.502 -0.868 0 O-C-N 129.073 3.983 . . . . 10.0 106.463 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.519 HG21 ' H10' ' A' ' 135' ' ' RTL . 4.8 p -89.0 169.95 11.09 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.893 2.077 . . . . 10.0 109.669 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -147.14 73.39 1.3 Allowed 'General case' 0 N--CA 1.478 0.93 0 CA-C-O 118.805 -0.617 . . . . 10.0 110.95 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.3 m -112.45 173.62 6.28 Favored 'General case' 0 N--CA 1.476 0.873 1 O-C-N 130.489 4.868 . . . . 10.0 105.987 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.1 p -86.62 -53.64 4.84 Favored 'General case' 0 C--O 1.21 -1.024 0 CA-C-N 108.707 -3.86 . . . . 10.0 106.807 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.461 ' HB3' ' H31' ' A' ' 135' ' ' RTL . 0.1 OUTLIER -47.77 -67.55 0.26 Allowed 'General case' 0 C--N 1.354 0.772 0 O-C-N 127.946 3.279 . . . . 10.0 113.092 179.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.441 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 15.2 mmt180 -144.2 150.17 37.57 Favored 'General case' 0 C--O 1.209 -1.052 0 O-C-N 127.606 3.066 . . . . 10.0 111.962 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -108.78 86.9 2.37 Favored 'General case' 0 C--N 1.328 -0.368 1 O-C-N 130.149 4.656 . . . . 10.0 109.643 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.555 ' CD1' HD11 ' A' ' 78' ' ' LEU . 1.8 t80 -76.83 160.91 28.87 Favored 'General case' 0 N--CA 1.452 -0.372 0 O-C-N 128.606 3.691 . . . . 10.0 108.513 -179.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -154.06 105.99 2.78 Favored 'General case' 0 N--CA 1.483 1.19 1 O-C-N 129.536 4.273 . . . . 10.0 113.25 179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.26 34.85 0.69 Allowed 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 116.227 1.936 . . . . 10.0 116.227 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -56.57 134.87 54.67 Favored 'General case' 0 CA--C 1.495 -1.167 0 C-N-CA 117.044 -1.862 . . . . 10.0 109.234 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CD1' ' HB3' ' A' ' 71' ' ' PHE . 17.1 t80 -178.37 147.52 0.42 Allowed 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 127.381 3.467 . . . . 10.0 108.702 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.4 -171.13 1.38 Allowed 'General case' 0 C--O 1.208 -1.095 0 CA-C-N 112.379 -2.191 . . . . 10.0 106.901 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -104.6 102.98 14.56 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.164 0 O-C-N 127.709 3.13 . . . . 10.0 114.085 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.532 ' N ' HG12 ' A' ' 87' ' ' VAL . . . 58.18 21.19 46.04 Favored Glycine 0 C--N 1.354 1.568 0 CA-C-N 112.574 -2.103 . . . . 10.0 117.599 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.8 t -88.58 -6.57 10.78 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.191 0 C-N-CA 117.967 -1.493 . . . . 10.0 108.763 179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 79.68 138.41 0.07 Allowed 'General case' 0 N--CA 1.471 0.605 2 O-C-N 129.906 4.504 . . . . 10.0 112.198 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.487 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 10.0 t80 -163.73 114.12 1.32 Allowed 'General case' 0 N--CA 1.434 -1.268 0 N-CA-C 118.298 2.703 . . . . 10.0 118.298 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -71.4 118.5 14.29 Favored 'General case' 0 C--O 1.217 -0.641 0 CA-C-O 117.508 -1.234 . . . . 10.0 109.882 179.469 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.487 ' HB2' HG23 ' A' ' 83' ' ' VAL . 5.6 mt-10 -103.79 -156.3 0.56 Allowed 'General case' 0 CA--C 1.5 -0.948 0 CA-C-O 124.14 1.924 . . . . 10.0 112.047 -179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.496 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -171.54 134.51 0.85 Allowed 'General case' 0 C--O 1.22 -0.478 0 CA-C-O 127.398 3.475 . . . . 10.0 112.9 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 71.7 p -95.04 42.22 1.09 Allowed 'General case' 0 C--O 1.217 -0.618 0 O-C-N 119.289 -2.132 . . . . 10.0 111.588 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.496 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 16.3 mtmm -77.61 131.97 38.05 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 124.237 1.97 . . . . 10.0 112.916 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 114.29 -48.02 0.98 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 112.305 -2.225 . . . . 10.0 107.59 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.555 HD11 ' CD1' ' A' ' 61' ' ' TYR . 0.5 OUTLIER -64.84 -69.92 0.26 Allowed 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 108.563 -3.818 . . . . 10.0 110.713 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -138.92 -52.07 0.56 Allowed 'General case' 0 CA--C 1.502 -0.889 0 CA-C-N 112.746 -2.025 . . . . 10.0 108.227 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.67 85.07 1.79 Allowed Glycine 0 CA--C 1.486 -1.75 0 CA-C-O 127.393 3.774 . . . . 10.0 117.481 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 171.62 14.16 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 109.979 -3.111 . . . . 10.0 110.378 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.86 128.17 55.17 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 116.077 -1.916 . . . . 10.0 109.224 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.487 HG23 ' HB2' ' A' ' 73' ' ' GLU . 1.9 m -141.26 160.66 22.5 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.183 1 O-C-N 129.178 4.048 . . . . 10.0 114.255 -179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.446 ' HD3' ' CB ' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -148.27 134.85 19.77 Favored 'General case' 0 C--N 1.317 -0.805 0 O-C-N 128.755 3.785 . . . . 10.0 108.118 179.687 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.4 m -119.62 151.98 37.8 Favored 'General case' 0 CA--C 1.492 -1.265 0 CA-C-N 109.395 -3.548 . . . . 10.0 118.071 -179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' O ' HD23 ' A' ' 86' ' ' LEU . 6.8 tt -150.68 118.08 6.05 Favored 'General case' 0 N--CA 1.442 -0.869 0 CA-C-N 109.652 -3.431 . . . . 10.0 110.797 179.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.692 HG23 ' CB ' ' A' ' 96' ' ' CYS . 0.5 OUTLIER -102.44 160.98 4.08 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.074 0 O-C-N 118.841 -2.412 . . . . 10.0 112.79 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.435 ' N ' HG13 ' A' ' 87' ' ' VAL 0.297 60.7 m -162.13 113.07 1.6 Allowed 'General case' 0 CA--C 1.497 -1.071 2 O-C-N 130.165 4.666 . . . . 10.0 109.743 179.987 . . . . . . . . 4 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 28.2 m95 -52.46 149.47 5.72 Favored 'General case' 0 N--CA 1.434 -1.271 0 CA-C-O 114.584 -2.627 . . . . 10.0 105.809 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -143.06 35.18 1.36 Allowed 'General case' 0 N--CA 1.484 1.239 2 CA-C-O 131.178 5.275 . . . . 10.0 116.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.86 -90.42 0.26 Allowed Glycine 0 N--CA 1.481 1.694 2 CA-C-N 107.644 -4.344 . . . . 10.0 102.417 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.2 m-20 -123.09 18.33 10.0 Favored 'General case' 0 C--O 1.199 -1.597 2 O-C-N 130.419 4.246 . . . . 10.0 106.221 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.41 -164.22 1.01 Allowed 'General case' 0 C--O 1.207 -1.148 0 CA-C-N 111.94 -2.391 . . . . 10.0 113.773 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.8 OUTLIER -175.56 51.83 0.01 OUTLIER 'General case' 0 CA--C 1.486 -1.519 0 O-C-N 127.878 3.236 . . . . 10.0 112.38 -179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.5 t -45.55 94.22 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.509 -0.634 0 CA-C-N 109.276 -3.602 . . . . 10.0 114.46 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.692 ' CB ' HG23 ' A' ' 87' ' ' VAL . 0.1 OUTLIER -100.33 162.7 12.78 Favored 'General case' 0 N--CA 1.491 1.61 1 O-C-N 129.232 4.082 . . . . 10.0 105.211 -179.896 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 96' ' ' CYS . 0.2 OUTLIER -155.11 149.43 12.17 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.984 0 O-C-N 126.739 2.524 . . . . 10.0 114.253 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.437 ' HG2' HG12 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -113.33 148.02 36.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 120.499 -1.376 . . . . 10.0 111.038 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.446 ' CB ' ' HD3' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -129.92 46.55 2.63 Favored 'General case' 0 C--O 1.207 -1.145 0 O-C-N 128.267 3.479 . . . . 10.0 110.969 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.426 ' C ' ' HD2' ' A' ' 102' ' ' LYS . . . -103.81 47.46 1.09 Allowed Glycine 0 C--N 1.34 0.778 0 CA-C-N 114.133 -1.394 . . . . 10.0 109.652 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 90.12 11.86 0.06 Allowed 'General case' 0 CA--C 1.508 -0.645 0 CA-C-N 110.043 -3.078 . . . . 10.0 107.159 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 100' ' ' GLY . 0.1 OUTLIER -96.09 -59.22 1.89 Allowed 'General case' 0 N--CA 1.447 -0.617 0 C-N-CA 125.81 1.644 . . . . 10.0 114.266 -179.772 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 44.71 32.34 0.77 Allowed 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 128.294 3.496 . . . . 10.0 116.209 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -178.79 50.41 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.894 2 O-C-N 130.985 5.178 . . . . 10.0 108.503 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 3.4 ttt85 -134.05 86.48 2.28 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 126.096 2.123 . . . . 10.0 110.541 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.78 173.84 22.15 Favored Glycine 0 C--O 1.217 -0.945 1 O-C-N 130.257 4.723 . . . . 10.0 114.39 179.703 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.926 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -119.22 133.38 55.8 Favored 'General case' 0 C--O 1.208 -1.084 0 O-C-N 128.488 3.11 . . . . 10.0 113.049 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -107.09 47.49 0.88 Allowed 'General case' 0 C--O 1.203 -1.381 0 CA-C-O 128.428 3.966 . . . . 10.0 111.537 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.52 ' CB ' HD13 ' A' ' 118' ' ' LEU . 3.1 tt0 -62.89 82.43 0.02 OUTLIER 'General case' 0 CA--C 1.494 -1.187 0 CA-C-N 109.895 -3.32 . . . . 10.0 110.004 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.0 OUTLIER -99.0 117.31 33.23 Favored 'General case' 0 N--CA 1.49 1.571 0 C-N-CA 116.57 -2.052 . . . . 10.0 110.621 179.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 65.8 t -68.33 134.23 30.5 Favored 'Isoleucine or valine' 0 CA--C 1.48 -1.721 0 CA-C-O 126.994 3.283 . . . . 10.0 119.293 -179.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -115.07 -36.05 4.53 Favored 'General case' 0 CA--C 1.479 -1.763 0 CA-C-N 110.536 -3.029 . . . . 10.0 113.118 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.07 111.95 3.31 Favored Glycine 0 N--CA 1.431 -1.696 0 C-N-CA 125.98 1.753 . . . . 10.0 113.181 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 54.08 30.17 11.52 Favored 'General case' 0 C--O 1.217 -0.642 0 CA-C-O 115.311 -2.281 . . . . 10.0 112.431 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp 164.56 121.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 1 O-C-N 134.129 7.143 . . . . 10.0 110.069 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.546 ' N ' HD13 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -151.88 162.82 40.44 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 128.17 3.419 . . . . 10.0 111.715 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.5 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 14.0 m-85 -108.72 105.86 15.64 Favored 'General case' 0 CA--C 1.502 -0.883 0 CA-C-N 110.38 -3.1 . . . . 10.0 115.786 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.926 HD11 ' HB3' ' A' ' 107' ' ' TRP . 10.8 tp -92.75 93.59 8.53 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-O 115.295 -2.288 . . . . 10.0 106.833 179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -82.37 104.79 12.92 Favored 'General case' 0 CA--C 1.5 -0.977 0 O-C-N 126.142 2.151 . . . . 10.0 112.133 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 107' ' ' TRP . 0.1 OUTLIER -85.42 133.56 34.11 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 128.533 3.645 . . . . 10.0 105.87 179.45 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 43.5 p -115.09 32.16 6.22 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 112.73 -2.032 . . . . 10.0 110.793 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 44.1 t -64.57 130.97 45.68 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 116.851 2.167 . . . . 10.0 116.851 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 60.26 -143.49 47.51 Favored Glycine 0 CA--C 1.527 0.799 0 O-C-N 127.381 2.925 . . . . 10.0 113.344 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -70.11 -53.39 17.58 Favored 'General case' 0 CA--C 1.5 -0.977 0 CA-C-N 109.053 -3.573 . . . . 10.0 111.689 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -79.63 -173.86 4.0 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 126.574 2.421 . . . . 10.0 107.0 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 50.8 t -130.6 123.86 55.8 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.583 0 CA-C-N 111.589 -2.551 . . . . 10.0 112.144 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 123.72 50.77 Favored 'General case' 0 CA--C 1.496 -1.134 0 O-C-N 120.357 -1.465 . . . . 10.0 108.11 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.453 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 25.9 ttm180 -93.5 93.34 8.05 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 116.101 -2.239 . . . . 10.0 111.124 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.1 OUTLIER -53.96 136.8 40.61 Favored 'General case' 0 N--CA 1.475 0.779 1 O-C-N 129.144 4.027 . . . . 10.0 111.431 -179.823 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.453 ' N ' ' HG3' ' A' ' 129' ' ' GLN . 1.3 t -111.96 128.93 68.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 N-CA-C 104.707 -2.331 . . . . 10.0 104.707 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.519 ' CE1' ' HG2' ' A' ' 129' ' ' GLN 0.267 2.6 m-85 -131.49 -179.7 5.52 Favored 'General case' 0 CA--C 1.496 -1.104 0 CA-C-N 108.915 -3.766 . . . . 10.0 113.068 -179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.48 154.51 24.95 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 102.801 -3.036 . . . . 10.0 102.801 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.49 ' HE3' ' CZ3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -150.72 166.86 29.11 Favored 'General case' 0 C--O 1.194 -1.845 0 O-C-N 127.527 3.017 . . . . 10.0 118.381 -179.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.858 0 CA-C-O 114.399 -2.715 . . . . 10.0 114.679 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.541 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.507 2.417 0 N-CA-C 106.123 -1.806 . . . . 10.0 106.123 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 178.08 170.91 0.71 Allowed 'General case' 0 C--O 1.2 -1.535 0 O-C-N 125.298 1.624 . . . . 10.0 107.167 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.56 159.28 0.77 Allowed 'General case' 0 CA--C 1.495 -1.147 0 O-C-N 126.809 2.568 . . . . 10.0 114.943 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -162.24 93.63 0.87 Allowed 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 105.001 -2.222 . . . . 10.0 105.001 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -83.43 -72.93 0.43 Allowed 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 103.236 -2.876 . . . . 10.0 103.236 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.5 OUTLIER -11.75 79.17 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 0 C-N-CA 130.569 3.548 . . . . 10.0 113.193 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.96 -168.75 17.33 Favored Glycine 0 C--O 1.203 -1.82 0 C-N-CA 116.604 -2.713 . . . . 10.0 113.861 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.522 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 3.4 m -123.08 149.96 43.77 Favored 'General case' 0 C--O 1.209 -1.061 1 O-C-N 130.233 4.137 . . . . 10.0 107.026 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.838 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -166.34 80.24 0.26 Allowed 'General case' 0 CA--C 1.498 -1.037 0 O-C-N 127.477 2.986 . . . . 10.0 116.117 -178.118 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' HG2' HG23 ' A' ' 40' ' ' THR . 79.3 mt-10 -61.08 116.26 4.39 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 116.298 -1.811 . . . . 10.0 107.649 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.468 ' O ' HG22 ' A' ' 38' ' ' THR . 2.0 mtt -53.07 150.67 5.5 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 127.408 2.943 . . . . 10.0 106.277 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -113.42 -53.11 2.72 Favored 'General case' 0 N--CA 1.439 -1.01 1 O-C-N 129.159 4.037 . . . . 10.0 107.508 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.305 7.0 m -164.89 177.82 7.6 Favored 'General case' 0 N--CA 1.432 -1.35 0 CA-C-N 112.918 -1.946 . . . . 10.0 113.286 -179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.576 ' ND2' HE21 ' A' ' 129' ' ' GLN . 2.0 m120 -140.62 165.22 28.05 Favored 'General case' 0 C--N 1.318 -0.784 2 O-C-N 130.761 5.038 . . . . 10.0 109.402 179.532 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -120.27 5.19 10.75 Favored 'General case' 0 CA--C 1.476 -1.881 1 O-C-N 132.527 6.142 . . . . 10.0 114.706 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.558 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.8 t-20 -164.15 73.31 0.27 Allowed 'General case' 0 C--O 1.197 -1.708 0 CA-C-O 125.465 2.555 . . . . 10.0 108.517 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CG ' HG23 ' A' ' 35' ' ' VAL . 1.5 m-85 -61.25 -38.39 86.53 Favored 'General case' 0 C--O 1.196 -1.753 0 CA-C-N 110.132 -3.213 . . . . 10.0 106.562 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.26 9.0 tt0 -70.47 -21.92 62.73 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 109.313 -3.585 . . . . 10.0 113.529 179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.96 -27.75 52.26 Favored Glycine 0 N--CA 1.467 0.708 0 N-CA-C 106.992 -2.443 . . . . 10.0 106.992 179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.92 -45.23 71.36 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-O 123.34 1.543 . . . . 10.0 107.862 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.562 ' HG3' ' HG3' ' A' ' 31' ' ' ARG 0.356 1.0 OUTLIER -58.92 -29.74 67.32 Favored 'General case' 0 C--O 1.212 -0.898 0 CA-C-N 110.772 -2.922 . . . . 10.0 112.735 -179.964 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.2 mtpt -80.1 -24.22 40.71 Favored 'General case' 0 C--N 1.319 -0.729 1 CA-C-N 108.302 -4.045 . . . . 10.0 112.827 178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.09 -26.65 64.09 Favored 'General case' 0 N--CA 1.477 0.901 1 O-C-N 129.205 4.066 . . . . 10.0 109.64 179.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.6 pt? -176.34 122.08 0.16 Allowed 'General case' 0 C--N 1.322 -0.618 1 O-C-N 132.653 6.221 . . . . 10.0 109.517 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -76.72 66.93 2.73 Favored 'General case' 0 CA--C 1.483 -1.603 1 CA-C-O 129.212 4.339 . . . . 10.0 113.166 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 79' ' ' ASP . 1.2 tt -59.24 -35.55 58.46 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 CA-C-N 108.702 -3.863 . . . . 10.0 108.145 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.0 t70 152.68 150.06 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.791 0 CA-C-N 110.792 -2.913 . . . . 10.0 109.163 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -73.53 -28.83 62.1 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 116.299 1.963 . . . . 10.0 116.299 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.517 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -72.16 -20.0 61.67 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 121.886 -0.509 . . . . 10.0 110.455 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.493 HG22 ' NH1' ' A' ' 31' ' ' ARG . 11.8 m -63.96 -37.33 87.01 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 127.386 2.929 . . . . 10.0 115.239 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.608 HH22 H182 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -80.07 -33.79 38.62 Favored 'General case' 0 CA--C 1.509 -0.618 1 O-C-N 131.065 5.228 . . . . 10.0 107.7 -179.737 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 ttpt -72.56 -32.12 65.8 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 128.629 3.705 . . . . 10.0 107.292 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.517 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -77.68 -37.36 24.06 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.62 0 CA-C-N 110.883 -2.871 . . . . 10.0 107.874 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.49 -29.58 52.66 Favored 'General case' 0 C--O 1.207 -1.135 0 CA-C-O 126.342 2.973 . . . . 10.0 110.02 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG23 ' CG ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -46.72 -31.87 1.66 Allowed 'Isoleucine or valine' 0 C--O 1.212 -0.874 0 CA-C-N 111.531 -2.577 . . . . 10.0 116.684 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.529 ' CD ' HD23 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -127.88 -10.54 5.46 Favored 'General case' 0 N--CA 1.442 -0.857 0 CA-C-N 113.042 -1.89 . . . . 10.0 115.214 179.799 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD23 ' CD ' ' A' ' 36' ' ' ARG . 0.2 OUTLIER -72.86 148.26 44.6 Favored 'General case' 0 C--N 1.317 -0.834 0 O-C-N 126.637 2.461 . . . . 10.0 104.834 179.811 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -100.45 47.27 0.93 Allowed 'General case' 0 N--CA 1.477 0.892 1 O-C-N 133.824 6.953 . . . . 10.0 110.332 -179.959 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -22.79 95.35 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.986 0 O-C-N 127.312 2.883 . . . . 10.0 117.074 -179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.535 HG23 ' HG2' ' A' ' 10' ' ' GLU . 2.6 m -72.05 152.0 42.73 Favored 'General case' 0 C--O 1.217 -0.626 1 O-C-N 131.348 5.405 . . . . 10.0 110.192 179.865 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.545 ' HE2' ' CD1' ' A' ' 9' ' ' TRP 0.301 1.6 tmmm? -176.02 160.16 2.25 Favored 'General case' 0 N--CA 1.489 1.478 1 O-C-N 129.743 4.402 . . . . 10.0 108.93 179.967 . . . . . . . . 4 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.402 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.2 OUTLIER -163.74 118.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 C-N-CA 114.985 -2.686 . . . . 10.0 111.902 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.838 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.402 50.5 mt -88.95 173.08 0.91 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 CA-C-N 112.506 -2.134 . . . . 10.0 109.693 -179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.597 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -174.09 133.37 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 O-C-N 127.719 3.137 . . . . 10.0 109.826 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -166.25 175.79 8.04 Favored 'General case' 0 CA--C 1.486 -1.493 0 N-CA-C 118.231 2.678 . . . . 10.0 118.231 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -139.76 12.85 2.49 Favored 'General case' 0 CA--C 1.506 -0.72 2 O-C-N 129.989 4.556 . . . . 10.0 112.699 179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.87 118.08 3.67 Favored Glycine 0 C--O 1.203 -1.834 0 N-CA-C 114.727 0.651 . . . . 10.0 114.727 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.405 ' OD2' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER 78.47 -28.76 0.16 Allowed 'General case' 0 CA--C 1.507 -0.687 0 N-CA-C 117.941 2.571 . . . . 10.0 117.941 -179.843 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.405 ' ND2' ' OD2' ' A' ' 48' ' ' ASP . 1.1 p30 -129.37 87.86 2.61 Favored 'General case' 0 C--O 1.22 -0.485 0 O-C-N 125.323 1.639 . . . . 10.0 115.402 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -105.75 145.44 31.12 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 128.07 3.357 . . . . 10.0 114.314 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -152.45 133.36 14.1 Favored 'General case' 0 C--O 1.201 -1.461 0 CA-C-O 124.294 1.997 . . . . 10.0 112.564 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.464 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.361 0.6 OUTLIER -137.68 144.16 41.66 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 109.211 -3.631 . . . . 10.0 113.738 -179.882 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.4 157.02 43.12 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 126.239 2.212 . . . . 10.0 106.014 -179.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 p -111.36 164.78 12.55 Favored 'General case' 0 CA--C 1.513 -0.474 1 O-C-N 129.927 4.517 . . . . 10.0 114.437 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -146.88 60.22 1.19 Allowed 'General case' 0 C--O 1.206 -1.209 0 C-N-CA 126.986 2.115 . . . . 10.0 112.766 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.34 11.47 34.6 Favored 'General case' 0 C--N 1.322 -0.593 1 O-C-N 131.66 5.6 . . . . 10.0 110.601 179.629 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.0 m 64.49 -70.54 0.08 Allowed 'General case' 0 C--O 1.215 -0.721 0 O-C-N 127.692 3.12 . . . . 10.0 108.582 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.482 ' CE2' HG23 ' A' ' 30' ' ' THR . 2.1 t80 -35.44 -64.71 0.27 Allowed 'General case' 0 C--N 1.353 0.734 0 O-C-N 127.837 3.211 . . . . 10.0 115.462 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 3.1 mmt180 -135.57 120.72 18.88 Favored 'General case' 0 C--N 1.352 0.713 0 CA-C-N 109.206 -3.634 . . . . 10.0 113.886 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -85.48 109.95 18.84 Favored 'General case' 0 C--O 1.216 -0.702 0 O-C-N 128.633 3.708 . . . . 10.0 105.658 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -121.55 132.54 54.75 Favored 'General case' 0 CA--C 1.503 -0.843 1 O-C-N 130.897 5.123 . . . . 10.0 108.609 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -117.7 147.18 43.18 Favored 'General case' 0 CA--C 1.497 -1.066 1 O-C-N 129.533 4.271 . . . . 10.0 110.348 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.452 ' HG ' ' CH2' ' A' ' 107' ' ' TRP . 0.2 OUTLIER -114.98 31.41 6.71 Favored 'General case' 0 C--N 1.351 0.671 0 N-CA-C 114.77 1.396 . . . . 10.0 114.77 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -49.27 117.2 2.04 Favored 'General case' 0 C--O 1.21 -0.978 0 O-C-N 126.295 2.247 . . . . 10.0 109.077 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.622 ' CD2' HG22 ' A' ' 85' ' ' THR . 10.6 t80 -177.18 149.49 0.68 Allowed 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 125.351 2.5 . . . . 10.0 108.204 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.267 0.0 OUTLIER -79.47 -172.27 3.16 Favored 'General case' 0 C--O 1.208 -1.123 0 O-C-N 119.912 -1.743 . . . . 10.0 109.789 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 76.2 t -98.05 101.76 12.59 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.383 1 O-C-N 130.263 4.727 . . . . 10.0 115.316 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 58.28 23.05 52.35 Favored Glycine 0 C--O 1.206 -1.627 0 O-C-N 128.789 3.806 . . . . 10.0 116.747 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 18.4 t -88.65 -8.47 10.9 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 CA-C-O 124.955 2.312 . . . . 10.0 108.337 179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 70.07 129.92 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.904 2 CA-C-N 105.622 -5.263 . . . . 10.0 114.995 179.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' CE1' ' HB2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -162.61 142.69 9.54 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 127.062 2.726 . . . . 10.0 117.573 179.635 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -77.94 108.35 11.13 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 112.666 -2.061 . . . . 10.0 115.367 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -90.01 157.69 17.7 Favored 'General case' 0 CA--C 1.484 -1.583 0 CA-C-O 124.221 1.962 . . . . 10.0 110.124 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -123.98 123.03 39.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 123.131 1.443 . . . . 10.0 110.469 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.474 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 1.1 p -100.36 18.76 18.08 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 111.606 -2.543 . . . . 10.0 110.489 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -59.49 88.71 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 126.069 2.843 . . . . 10.0 114.799 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 75' ' ' THR . . . 143.19 -31.87 1.92 Allowed Glycine 0 CA--C 1.529 0.938 0 CA-C-N 108.635 -3.893 . . . . 10.0 110.991 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.58 38.17 1.23 Allowed 'General case' 0 N--CA 1.469 0.517 0 O-C-N 127.716 2.656 . . . . 10.0 112.575 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.434 ' HB2' ' HA ' ' A' ' 26' ' ' ILE . 21.1 m-20 34.65 42.43 0.07 Allowed 'General case' 0 CA--C 1.504 -0.807 0 O-C-N 126.719 2.512 . . . . 10.0 113.965 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.474 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -109.62 -48.47 0.79 Allowed Glycine 0 C--O 1.206 -1.624 0 O-C-N 125.768 1.918 . . . . 10.0 114.573 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 71.47 -22.21 0.2 Allowed 'General case' 0 N--CA 1.484 1.274 0 CA-C-N 111.601 -2.3 . . . . 10.0 114.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.597 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.5 OUTLIER 179.48 138.24 0.11 Allowed 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 120.899 1.681 . . . . 10.0 111.894 -179.842 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -164.44 162.59 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.497 -1.081 1 O-C-N 129.366 4.166 . . . . 10.0 113.501 179.928 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -126.41 113.74 17.28 Favored 'General case' 0 CA--C 1.508 -0.646 1 O-C-N 129.19 4.056 . . . . 10.0 112.788 179.77 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.622 HG22 ' CD2' ' A' ' 65' ' ' PHE . 90.4 m -89.18 140.27 29.64 Favored 'General case' 0 C--O 1.21 -0.982 0 O-C-N 126.252 2.22 . . . . 10.0 113.396 179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.9 tt -151.71 118.74 5.86 Favored 'General case' 0 C--O 1.214 -0.814 0 O-C-N 127.283 2.865 . . . . 10.0 111.963 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 2.1 t -106.67 145.51 14.24 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.336 0 CA-C-O 124.619 2.152 . . . . 10.0 114.173 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.257 90.2 m -147.41 112.74 5.57 Favored 'General case' 0 CA--C 1.482 -1.657 0 CA-C-N 110.475 -3.057 . . . . 10.0 112.393 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 49.4 m95 -57.88 138.29 55.87 Favored 'General case' 0 C--N 1.361 1.08 0 CA-C-O 114.363 -2.732 . . . . 10.0 104.967 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -134.33 21.3 3.7 Favored 'General case' 0 CA--C 1.485 -1.534 0 O-C-N 128.556 3.66 . . . . 10.0 117.914 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.18 83.41 1.17 Allowed Glycine 0 N--CA 1.482 1.727 0 CA-C-N 110.062 -3.245 . . . . 10.0 106.043 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.2 m120 58.27 29.01 17.44 Favored 'General case' 0 C--O 1.217 -0.623 0 O-C-N 128.918 3.363 . . . . 10.0 108.693 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.702 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -115.98 -143.63 0.38 Allowed 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 127.675 2.39 . . . . 10.0 115.755 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.614 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.8 pp 163.59 48.36 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.342 0 O-C-N 127.65 3.094 . . . . 10.0 111.923 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.422 HG22 ' HG2' ' A' ' 108' ' ' LYS . 54.0 t -49.42 115.74 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 O-C-N 127.025 2.703 . . . . 10.0 116.289 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.477 ' C ' HG22 ' A' ' 97' ' ' VAL . 2.6 m -102.09 161.78 13.42 Favored 'General case' 0 C--O 1.196 -1.747 0 N-CA-C 106.291 -1.744 . . . . 10.0 106.291 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.477 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -157.64 112.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 O-C-N 127.892 3.245 . . . . 10.0 113.837 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.435 ' C ' ' HD3' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -85.79 150.72 24.36 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-N 115.126 -0.943 . . . . 10.0 109.528 -179.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.661 ' O ' HG12 ' A' ' 83' ' ' VAL . 0.3 OUTLIER -128.92 174.18 9.74 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.597 3.686 . . . . 10.0 109.51 179.738 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 115.74 -81.56 0.31 Allowed Glycine 0 C--O 1.221 -0.718 0 CA-C-O 126.362 3.201 . . . . 10.0 109.656 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -116.48 -1.14 12.3 Favored 'General case' 0 C--N 1.346 0.431 0 CA-C-N 108.438 -3.881 . . . . 10.0 110.935 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.1 OUTLIER -107.12 -70.39 0.8 Allowed 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 124.417 1.073 . . . . 10.0 112.192 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 55.22 20.61 3.53 Favored 'General case' 0 C--O 1.22 -0.491 0 O-C-N 126.734 2.521 . . . . 10.0 116.226 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.5 t30 179.34 44.3 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.727 0 O-C-N 128.848 3.843 . . . . 10.0 106.087 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.648 ' NH2' H193 ' A' ' 135' ' ' RTL . 78.3 ttt-85 -121.32 86.72 2.63 Favored 'General case' 0 C--O 1.212 -0.893 0 O-C-N 125.109 1.506 . . . . 10.0 109.213 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.595 ' O ' HD13 ' A' ' 120' ' ' LEU . . . -126.0 167.98 18.26 Favored Glycine 0 C--O 1.217 -0.92 1 O-C-N 132.165 5.916 . . . . 10.0 117.425 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.716 ' HB2' HD11 ' A' ' 118' ' ' LEU 0.255 0.0 OUTLIER -138.28 100.42 4.12 Favored 'General case' 0 C--O 1.207 -1.154 1 O-C-N 131.53 4.9 . . . . 10.0 116.256 -179.913 . . . . . . . . 5 4 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.422 ' HG2' HG22 ' A' ' 95' ' ' VAL . 9.1 mttt -86.38 74.43 9.97 Favored 'General case' 0 C--O 1.205 -1.267 0 CA-C-O 127.191 3.377 . . . . 10.0 113.166 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.78 ' HB2' HD13 ' A' ' 118' ' ' LEU . 0.7 OUTLIER -93.48 105.09 17.18 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 109.044 -3.707 . . . . 10.0 104.939 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.702 ' HB3' HG23 ' A' ' 93' ' ' THR . 8.0 p90 -103.58 0.7 31.19 Favored 'General case' 0 CA--C 1.488 -1.417 0 N-CA-C 116.242 1.942 . . . . 10.0 116.242 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 116' ' ' LEU . 38.1 t 52.83 124.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.496 -1.127 0 CA-C-O 126.785 3.183 . . . . 10.0 117.265 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.2 -3.93 10.02 Favored 'General case' 0 CA--C 1.506 -0.734 0 CA-C-N 112.064 -2.334 . . . . 10.0 113.512 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.4 107.21 1.67 Allowed Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 115.137 0.815 . . . . 10.0 115.137 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 49.72 26.39 1.83 Allowed 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 115.175 1.546 . . . . 10.0 115.175 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.31 97.64 0.01 OUTLIER 'General case' 0 CA--C 1.499 -0.984 0 O-C-N 128.333 3.52 . . . . 10.0 107.444 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.589 HD21 ' HB3' ' A' ' 133' ' ' LYS . 0.1 OUTLIER -121.96 173.08 7.75 Favored 'General case' 0 N--CA 1.482 1.175 0 O-C-N 124.625 1.203 . . . . 10.0 110.735 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -127.06 77.45 1.73 Allowed 'General case' 0 C--O 1.202 -1.431 0 O-C-N 128.507 3.629 . . . . 10.0 114.354 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.78 HD13 ' HB2' ' A' ' 109' ' ' GLN . 45.6 tp -67.31 124.3 22.75 Favored 'General case' 0 N--CA 1.475 0.775 1 CA-C-N 107.469 -4.423 . . . . 10.0 107.67 179.921 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -105.89 118.17 35.91 Favored 'General case' 0 CA--C 1.486 -1.487 0 C-N-CA 125.509 1.524 . . . . 10.0 111.943 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.689 HD21 ' HB3' ' A' ' 107' ' ' TRP . 1.7 mm? -106.61 132.7 52.3 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 125.462 2.554 . . . . 10.0 107.806 179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 63.7 p -112.35 21.39 15.79 Favored 'General case' 0 CA--C 1.495 -1.163 0 CA-C-N 110.178 -3.192 . . . . 10.0 110.411 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 29.9 p -60.7 164.48 4.63 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 114.212 1.19 . . . . 10.0 114.212 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 57.99 -145.62 40.35 Favored Glycine 0 C--N 1.335 0.474 0 O-C-N 126.847 2.592 . . . . 10.0 111.913 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -99.48 -50.63 4.02 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.257 -1.016 . . . . 10.0 108.257 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -85.67 139.85 31.04 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 128.908 3.88 . . . . 10.0 103.778 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 60.1 t -90.0 129.57 40.67 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 CA-C-N 110.844 -2.889 . . . . 10.0 116.197 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.558 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 16.9 p -110.52 -164.71 0.94 Allowed 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 114.176 -1.375 . . . . 10.0 110.583 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -146.87 134.51 21.04 Favored 'General case' 0 CA--C 1.504 -0.8 0 O-C-N 128.985 3.928 . . . . 10.0 112.072 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.576 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.5 OUTLIER -93.94 163.12 13.62 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 127.819 3.2 . . . . 10.0 115.717 -179.644 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 13' ' ' SER . 34.4 t -138.28 119.08 16.29 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 105.785 -1.932 . . . . 10.0 105.785 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.462 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.258 5.6 m-85 -133.28 147.68 51.93 Favored 'General case' 0 CA--C 1.5 -0.948 0 CA-C-N 110.939 -2.846 . . . . 10.0 116.533 -179.931 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.44 ' CD ' ' HE3' ' A' ' 134' ' ' LYS . 0.6 OUTLIER -128.83 141.61 51.24 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 113.223 -3.275 . . . . 10.0 102.45 179.541 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.589 ' HB3' HD21 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -139.04 171.73 13.88 Favored 'General case' 0 C--O 1.196 -1.722 0 O-C-N 128.611 3.694 . . . . 10.0 118.109 -179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.44 ' HE3' ' CD ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.489 -1.391 0 N-CA-C 117.232 2.308 . . . . 10.0 117.232 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.727 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.6 mtp . . . . . 0 N--CA 1.51 2.551 0 N-CA-C 105.965 -1.865 . . . . 10.0 105.965 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 19.3 m 79.82 -67.27 0.14 Allowed 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 126.069 2.106 . . . . 10.0 111.09 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.1 173.76 6.23 Favored 'General case' 0 CA--C 1.51 -0.568 0 O-C-N 124.943 1.402 . . . . 10.0 111.812 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 176.96 -54.69 0.01 OUTLIER 'General case' 0 C--O 1.217 -0.606 0 N-CA-C 104.87 -2.27 . . . . 10.0 104.87 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.437 ' CD ' HD22 ' A' ' 94' ' ' LEU . 43.4 mm-40 60.54 39.69 17.77 Favored 'General case' 0 C--N 1.309 -1.195 0 N-CA-C 102.49 -3.152 . . . . 10.0 102.49 -179.612 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.495 ' ND2' ' HB2' ' A' ' 45' ' ' GLN . 2.7 m-80 -135.46 85.52 2.17 Favored 'General case' 0 C--N 1.312 -1.058 1 O-C-N 129.148 4.03 . . . . 10.0 110.215 179.561 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.2 171.88 44.72 Favored Glycine 0 C--O 1.203 -1.802 0 CA-C-O 114.311 -3.494 . . . . 10.0 113.096 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.604 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 0.2 OUTLIER -97.1 160.68 14.2 Favored 'General case' 0 C--O 1.2 -1.543 1 O-C-N 136.54 7.847 . . . . 10.0 103.616 179.877 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.604 ' CG ' ' C ' ' A' ' 8' ' ' THR . 0.0 OUTLIER -176.88 75.22 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.826 0 O-C-N 127.022 2.701 . . . . 10.0 111.313 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.48 109.93 0.62 Allowed 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 117.825 -1.083 . . . . 10.0 108.812 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.4 mtt -45.29 151.47 0.35 Allowed 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.337 1.648 . . . . 10.0 109.54 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -122.7 -60.76 1.51 Allowed 'General case' 0 N--CA 1.442 -0.867 1 O-C-N 130.689 4.993 . . . . 10.0 111.783 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 p -174.46 176.95 2.28 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 111.938 -2.392 . . . . 10.0 112.965 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' ND2' ' OH ' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -134.75 161.23 35.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 109.075 -3.693 . . . . 10.0 110.727 -179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -85.58 -62.62 1.48 Allowed 'General case' 0 N--CA 1.484 1.255 1 O-C-N 131.367 5.417 . . . . 10.0 108.79 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.414 ' HB2' ' HB3' ' A' ' 127' ' ' CYS . 6.1 m-20 -100.73 88.84 3.7 Favored 'General case' 0 C--O 1.201 -1.462 0 CA-C-O 122.805 1.288 . . . . 10.0 109.738 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 35' ' ' VAL . 96.0 m-85 -61.03 -34.45 74.87 Favored 'General case' 0 C--O 1.197 -1.688 0 CA-C-O 126.261 2.934 . . . . 10.0 111.745 -179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -58.55 -23.43 58.34 Favored 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 118.726 2.862 . . . . 10.0 118.726 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.62 -20.05 79.67 Favored Glycine 0 N--CA 1.473 1.131 0 O-C-N 126.634 2.459 . . . . 10.0 110.665 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.417 ' OH ' ' ND2' ' A' ' 14' ' ' ASN . 9.7 m-30 -66.48 -30.4 70.73 Favored 'General case' 0 C--O 1.203 -1.35 0 CA-C-O 123.819 1.771 . . . . 10.0 109.567 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.6 ttp -77.69 -30.11 51.76 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-N 114.248 -1.342 . . . . 10.0 110.776 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.9 -23.18 42.0 Favored 'General case' 0 C--O 1.205 -1.243 0 CA-C-N 111.464 -2.607 . . . . 10.0 110.202 179.664 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.413 ' O ' ' NZ ' ' A' ' 102' ' ' LYS . . . -62.73 -21.72 66.01 Favored 'General case' 0 C--O 1.202 -1.422 0 CA-C-N 110.112 -3.222 . . . . 10.0 112.61 179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD23 ' N ' ' A' ' 24' ' ' LEU . 2.6 pt? 163.16 137.73 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.722 2 O-C-N 133.168 6.543 . . . . 10.0 108.192 179.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -60.72 82.57 0.01 OUTLIER 'General case' 0 CA--C 1.481 -1.707 0 CA-C-O 128.378 3.942 . . . . 10.0 110.38 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.909 ' CG1' HG21 ' A' ' 30' ' ' THR . 8.7 tp -94.72 -18.73 6.69 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.066 0 CA-C-N 110.473 -3.058 . . . . 10.0 113.677 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.443 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 27.3 t70 119.9 159.93 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 127.261 2.851 . . . . 10.0 109.943 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -77.31 -23.35 51.03 Favored 'General case' 0 C--O 1.21 -0.999 0 O-C-N 125.788 1.93 . . . . 10.0 113.151 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.778 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.85 -31.74 63.32 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-N 112.449 -2.159 . . . . 10.0 109.979 179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.909 HG21 ' CG1' ' A' ' 26' ' ' ILE . 19.4 m -61.47 -38.91 88.96 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 111.688 -2.505 . . . . 10.0 116.069 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.724 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -77.45 -37.23 51.96 Favored 'General case' 0 CA--C 1.502 -0.884 0 O-C-N 126.806 2.566 . . . . 10.0 108.384 179.877 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -73.92 -21.87 59.89 Favored 'General case' 0 C--O 1.203 -1.384 0 O-C-N 125.489 1.743 . . . . 10.0 108.505 179.487 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.6 OUTLIER -79.3 -51.33 16.84 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.46 0 CA-C-N 112.334 -2.212 . . . . 10.0 108.287 179.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.549 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -64.86 -20.53 66.46 Favored 'General case' 0 C--O 1.212 -0.885 0 CA-C-O 125.384 2.516 . . . . 10.0 113.395 -179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 31' ' ' ARG . 2.0 t -58.67 -54.68 30.09 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 CA-C-N 110.229 -3.169 . . . . 10.0 116.637 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -103.75 0.75 30.87 Favored 'General case' 0 N--CA 1.446 -0.66 0 O-C-N 127.389 2.931 . . . . 10.0 114.936 -179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.485 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -81.3 123.83 28.84 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 127.743 3.152 . . . . 10.0 111.07 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -100.71 45.65 0.97 Allowed 'General case' 0 C--N 1.321 -0.636 1 O-C-N 129.427 4.204 . . . . 10.0 112.066 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.533 ' HB2' ' HA ' ' A' ' 56' ' ' SER . 2.0 pt20 -52.32 167.87 0.12 Allowed 'General case' 0 N--CA 1.476 0.828 0 O-C-N 126.033 2.083 . . . . 10.0 114.541 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.418 ' HB ' ' HB2' ' A' ' 55' ' ' ASN . 94.5 m -107.42 135.33 49.08 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 128.366 3.542 . . . . 10.0 111.856 179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 25.2 ttpt -133.03 147.24 52.24 Favored 'General case' 0 N--CA 1.491 1.583 1 O-C-N 129.379 4.174 . . . . 10.0 104.331 -179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.422 HD13 HG21 ' A' ' 42' ' ' ILE . 7.8 tt -158.74 89.47 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 C-N-CA 112.979 -3.488 . . . . 10.0 110.555 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.467 HG12 ' HE3' ' A' ' 41' ' ' LYS 0.295 4.6 mt -58.36 150.89 4.38 Favored 'Isoleucine or valine' 0 C--N 1.364 1.205 1 CA-C-N 108.367 -4.015 . . . . 10.0 106.89 -179.898 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.562 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 7.3 p -152.78 73.53 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.805 1 O-C-N 129.152 4.032 . . . . 10.0 114.594 179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.495 ' HB2' ' ND2' ' A' ' 6' ' ' ASN . 0.9 OUTLIER -29.82 140.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.201 0 N-CA-C 117.58 2.437 . . . . 10.0 117.58 179.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -144.72 35.09 1.14 Allowed 'General case' 0 CA--C 1.495 -1.136 0 CA-C-N 108.845 -3.798 . . . . 10.0 111.931 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.14 -65.13 1.94 Allowed Glycine 0 C--O 1.206 -1.605 0 O-C-N 125.376 1.672 . . . . 10.0 112.543 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.666 ' O ' HG22 ' A' ' 66' ' ' THR . 14.9 m-20 -158.08 35.69 0.25 Allowed 'General case' 0 C--O 1.213 -0.842 0 CA-C-N 113.308 -1.446 . . . . 10.0 110.588 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -149.91 42.53 0.87 Allowed 'General case' 0 CA--C 1.508 -0.67 1 O-C-N 129.799 4.437 . . . . 10.0 113.923 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.303 0.4 OUTLIER -62.75 138.56 58.55 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 115.156 1.539 . . . . 10.0 115.156 179.424 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.562 ' HD2' ' CG1' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -138.31 136.95 36.93 Favored 'General case' 0 CA--C 1.478 -1.82 0 O-C-N 125.643 1.839 . . . . 10.0 112.489 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.278 0.2 OUTLIER -134.1 129.57 36.15 Favored 'General case' 0 CA--C 1.492 -1.258 1 O-C-N 129.257 4.098 . . . . 10.0 112.131 -179.834 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.28 164.65 11.69 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.882 -1.532 . . . . 10.0 107.033 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 p -117.55 107.91 14.84 Favored 'General case' 0 C--O 1.236 0.359 0 O-C-N 127.918 3.261 . . . . 10.0 112.859 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.418 ' HB2' ' HB ' ' A' ' 40' ' ' THR . 3.7 m-80 -101.22 60.89 0.92 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 113.67 -1.604 . . . . 10.0 114.473 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.533 ' HA ' ' HB2' ' A' ' 39' ' ' GLN . 0.9 OUTLIER -84.7 -26.4 27.73 Favored 'General case' 0 C--N 1.315 -0.907 1 O-C-N 133.445 6.715 . . . . 10.0 111.763 -179.847 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 m 87.25 -65.97 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.761 1 O-C-N 130.218 4.699 . . . . 10.0 104.562 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE1' HG12 ' A' ' 33' ' ' ILE . 60.1 t80 -34.23 -57.82 0.48 Allowed 'General case' 0 C--O 1.219 -0.501 0 O-C-N 127.905 3.253 . . . . 10.0 114.591 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.406 ' HD2' ' CE2' ' A' ' 58' ' ' PHE . 3.3 mtt180 -145.2 92.2 2.23 Favored 'General case' 0 CA--C 1.509 -0.608 0 CA-C-N 110.76 -2.927 . . . . 10.0 115.72 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -53.44 141.99 23.26 Favored 'General case' 0 C--O 1.211 -0.952 0 CA-C-N 111.091 -2.777 . . . . 10.0 109.106 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -173.45 149.12 1.66 Allowed 'General case' 0 C--N 1.321 -0.667 0 O-C-N 126.279 2.237 . . . . 10.0 110.192 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -130.09 144.34 51.29 Favored 'General case' 0 C--O 1.21 -0.976 0 O-C-N 125.71 1.881 . . . . 10.0 110.956 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.56 HD13 ' OE2' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.64 47.32 0.88 Allowed 'General case' 0 CA--C 1.499 -1.014 0 O-C-N 126.097 2.123 . . . . 10.0 112.93 179.63 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.96 128.96 39.55 Favored 'General case' 0 N--CA 1.487 1.383 0 CA-C-N 113.757 -1.565 . . . . 10.0 109.254 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.628 ' CE2' HG22 ' A' ' 85' ' ' THR . 33.1 t80 -173.02 152.6 2.37 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 125.233 2.444 . . . . 10.0 109.984 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.4 OUTLIER -87.59 169.01 12.53 Favored 'General case' 0 C--O 1.21 -1.024 0 N-CA-C 105.346 -2.094 . . . . 10.0 105.346 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.532 HG11 ' CD1' ' A' ' 89' ' ' TRP . 13.4 t -107.95 118.77 56.31 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.911 0 O-C-N 128.942 3.901 . . . . 10.0 112.559 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.6 -10.59 61.54 Favored Glycine 0 C--N 1.351 1.393 0 C-N-CA 116.004 -2.998 . . . . 10.0 112.352 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 24.0 t -114.98 113.03 42.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 107.493 -1.299 . . . . 10.0 107.493 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -49.04 147.7 2.72 Favored 'General case' 0 C--N 1.357 0.933 2 O-C-N 129.933 4.521 . . . . 10.0 115.773 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.414 ' HB3' ' CE1' ' A' ' 65' ' ' PHE . 18.9 t80 -165.17 126.32 2.0 Favored 'General case' 0 CA--C 1.51 -0.558 0 O-C-N 127.995 3.309 . . . . 10.0 116.977 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -72.26 108.21 5.29 Favored 'General case' 0 C--O 1.205 -1.277 0 O-C-N 118.852 -2.405 . . . . 10.0 113.201 179.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' OE2' HD13 ' A' ' 63' ' ' LEU . 2.0 tt0 -98.82 174.96 6.13 Favored 'General case' 0 CA--C 1.49 -1.349 0 CA-C-O 126.156 2.884 . . . . 10.0 109.487 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -144.88 125.68 14.3 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-N 113.117 -1.856 . . . . 10.0 111.571 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.0 p -97.23 23.86 7.01 Favored 'General case' 0 C--O 1.195 -1.767 0 CA-C-O 117.208 -1.377 . . . . 10.0 113.406 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.26 -27.11 13.72 Favored 'General case' 0 N--CA 1.443 -0.818 1 O-C-N 130.193 4.683 . . . . 10.0 112.257 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.35 -25.4 68.44 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-N 111.057 -2.792 . . . . 10.0 111.667 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.36 -64.87 1.12 Allowed 'General case' 0 C--O 1.237 0.422 0 O-C-N 129.374 3.632 . . . . 10.0 110.895 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -133.39 -47.32 0.83 Allowed 'General case' 0 CA--C 1.5 -0.949 0 O-C-N 125.269 1.605 . . . . 10.0 113.159 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 109.01 78.52 1.06 Allowed Glycine 0 C--O 1.213 -1.158 0 C-N-CA 126.712 2.101 . . . . 10.0 116.91 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -97.71 -159.53 0.74 Allowed 'General case' 0 N--CA 1.485 1.301 1 CA-C-N 107.641 -4.279 . . . . 10.0 107.374 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -162.39 73.89 0.39 Allowed 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.815 -1.18 . . . . 10.0 107.815 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.71 HG12 ' HA3' ' A' ' 100' ' ' GLY . 2.4 m -96.48 176.43 0.71 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.866 0 O-C-N 127.522 3.014 . . . . 10.0 117.159 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.13 92.58 2.61 Favored 'General case' 0 CA--C 1.496 -1.131 1 O-C-N 130.254 4.722 . . . . 10.0 111.786 179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.628 HG22 ' CE2' ' A' ' 65' ' ' PHE . 78.7 m -65.98 129.45 39.83 Favored 'General case' 0 CA--C 1.491 -1.296 0 CA-C-N 111.063 -2.79 . . . . 10.0 116.61 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.5 tt -144.98 124.83 13.41 Favored 'General case' 0 N--CA 1.433 -1.317 1 O-C-N 129.857 4.473 . . . . 10.0 111.255 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -135.22 149.07 28.59 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 CA-C-O 124.012 1.863 . . . . 10.0 109.052 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.5 p -149.5 118.02 6.53 Favored 'General case' 0 CA--C 1.481 -1.684 0 CA-C-N 109.016 -3.72 . . . . 10.0 112.413 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.532 ' CD1' HG11 ' A' ' 67' ' ' VAL 0.26 44.2 m95 -50.47 135.65 22.05 Favored 'General case' 0 N--CA 1.434 -1.238 0 CA-C-O 113.837 -2.982 . . . . 10.0 105.479 179.721 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -127.81 31.9 5.05 Favored 'General case' 0 C--O 1.198 -1.647 2 CA-C-O 130.876 5.131 . . . . 10.0 113.331 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 136.15 -101.22 0.36 Allowed Glycine 0 C--O 1.202 -1.861 2 CA-C-N 107.203 -4.544 . . . . 10.0 102.93 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 23.8 p-10 -104.25 1.42 30.47 Favored 'General case' 0 C--O 1.207 -1.136 1 O-C-N 130.602 4.354 . . . . 10.0 107.137 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.829 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -87.14 -170.72 3.17 Favored 'General case' 0 N--CA 1.435 -1.219 0 CA-C-N 110.505 -3.043 . . . . 10.0 115.84 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.437 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -179.3 56.18 0.01 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 126.54 2.4 . . . . 10.0 111.915 -179.529 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.288 72.3 t -55.35 112.22 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.496 -1.109 0 CA-C-N 108.579 -3.919 . . . . 10.0 114.151 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.608 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -98.55 177.39 5.34 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 103.228 -2.879 . . . . 10.0 103.228 179.792 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.608 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -175.31 125.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-O 126.758 3.17 . . . . 10.0 112.822 -179.865 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.515 ' CD ' HG11 ' A' ' 83' ' ' VAL . 1.5 mt-30 -94.95 153.6 17.59 Favored 'General case' 0 C--O 1.212 -0.888 0 O-C-N 119.536 -1.977 . . . . 10.0 109.202 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -137.67 60.56 1.63 Allowed 'General case' 0 C--O 1.213 -0.86 0 CA-C-N 111.651 -2.522 . . . . 10.0 111.773 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.71 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -111.28 48.62 0.92 Allowed Glycine 0 C--O 1.206 -1.629 0 N-CA-C 107.513 -2.235 . . . . 10.0 107.513 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 87.93 9.39 0.14 Allowed 'General case' 0 C--O 1.204 -1.332 1 CA-C-N 107.137 -4.531 . . . . 10.0 106.509 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.431 ' HD3' ' C ' ' A' ' 100' ' ' GLY . 0.7 OUTLIER -87.44 -67.13 0.84 Allowed 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 117.255 2.317 . . . . 10.0 117.255 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 59.35 28.45 17.8 Favored 'General case' 0 C--O 1.207 -1.168 0 CA-C-N 112.461 -2.154 . . . . 10.0 115.985 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 63.2 t30 -165.15 37.8 0.07 Allowed 'General case' 0 CA--C 1.506 -0.717 2 O-C-N 129.671 4.357 . . . . 10.0 109.791 -179.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.452 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 8.5 ttt180 -127.34 86.19 2.46 Favored 'General case' 0 C--O 1.198 -1.629 0 CA-C-N 120.809 1.64 . . . . 10.0 107.863 179.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -131.54 153.71 20.56 Favored Glycine 0 C--O 1.221 -0.707 1 O-C-N 129.656 4.348 . . . . 10.0 112.874 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.903 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -113.35 132.2 55.68 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 130.17 3.388 . . . . 10.0 112.551 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -119.78 67.24 0.81 Allowed 'General case' 0 C--O 1.203 -1.365 1 CA-C-O 128.883 4.182 . . . . 10.0 115.47 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.571 ' HB2' HD13 ' A' ' 118' ' ' LEU . 4.2 tt0 -96.66 113.25 24.8 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 108.413 -3.994 . . . . 10.0 107.511 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.829 ' HB3' HG23 ' A' ' 93' ' ' THR . 4.6 p90 -109.93 5.74 22.65 Favored 'General case' 0 CA--C 1.486 -1.493 0 C-N-CA 116.97 -1.892 . . . . 10.0 115.275 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 85.3 t 51.97 123.07 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.702 0 CA-C-O 126.504 3.05 . . . . 10.0 118.238 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -112.03 -76.46 0.59 Allowed 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 112.104 -2.316 . . . . 10.0 115.609 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 159.6 78.13 0.03 OUTLIER Glycine 0 C--O 1.212 -1.275 0 CA-C-O 123.402 1.556 . . . . 10.0 112.429 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 53.3 t0 67.45 56.31 0.61 Allowed 'General case' 0 C--O 1.205 -1.258 0 CA-C-N 114.118 -1.041 . . . . 10.0 111.013 -179.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.9 mmtt 149.1 80.55 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.577 2 O-C-N 134.607 7.442 . . . . 10.0 110.387 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.593 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -99.66 -178.74 3.97 Favored 'General case' 0 N--CA 1.489 1.505 1 O-C-N 130.657 4.973 . . . . 10.0 109.688 179.402 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -137.36 84.15 2.04 Favored 'General case' 0 C--O 1.201 -1.461 0 O-C-N 129.064 3.978 . . . . 10.0 110.571 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.903 HD11 ' HB3' ' A' ' 107' ' ' TRP . 3.9 tp -79.94 144.46 33.32 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 128.867 3.854 . . . . 10.0 107.192 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -126.63 113.46 16.75 Favored 'General case' 0 CA--C 1.5 -0.945 0 O-C-N 126.137 2.148 . . . . 10.0 110.257 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -96.08 141.6 29.28 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 127.845 3.216 . . . . 10.0 107.953 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 17.7 p -118.49 12.6 13.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 110.601 -2.999 . . . . 10.0 109.318 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.452 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 14.4 p -60.0 153.44 21.4 Favored 'General case' 0 CA--C 1.493 -1.246 0 N-CA-C 117.471 2.397 . . . . 10.0 117.471 -179.767 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 49.2 97.35 0.01 OUTLIER Glycine 0 N--CA 1.439 -1.145 1 O-C-N 129.487 4.242 . . . . 10.0 114.18 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 40.2 t0 9.08 57.45 0.0 OUTLIER 'General case' 0 CA--C 1.495 -1.161 1 O-C-N 130.221 4.13 . . . . 10.0 111.834 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -177.94 -166.61 0.12 Allowed 'General case' 0 C--O 1.202 -1.43 0 CA-C-N 111.52 -2.582 . . . . 10.0 106.269 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.76 141.42 40.83 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.997 0 CA-C-O 123.551 1.643 . . . . 10.0 112.129 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 0.0 OUTLIER -134.73 -178.98 5.32 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 105.145 -2.169 . . . . 10.0 105.145 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.59 116.02 6.64 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 117.341 -1.744 . . . . 10.0 111.369 179.051 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.612 ' HG2' HD23 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -69.66 170.53 10.63 Favored 'General case' 0 CA--C 1.497 -1.074 0 C-N-CA 113.627 -3.229 . . . . 10.0 115.27 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 21.8 t -156.05 101.26 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.22 -0.464 0 CA-C-O 126.533 3.063 . . . . 10.0 106.408 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.459 ' CD2' ' HB2' ' A' ' 9' ' ' TRP . 2.6 m-85 -105.25 174.67 5.78 Favored 'General case' 0 CA--C 1.497 -1.064 1 CA-C-N 108.346 -4.025 . . . . 10.0 110.659 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.342 32.3 pttt -169.11 -165.15 0.51 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 110.959 -2.837 . . . . 10.0 103.397 179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 4.8 tptm 60.72 174.77 0.1 Allowed 'General case' 0 CA--C 1.479 -1.751 0 O-C-N 128.022 3.326 . . . . 10.0 112.86 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 8' ' ' THR . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.741 0 N-CA-C 117.629 2.455 . . . . 10.0 117.629 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.536 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.666 ' O ' HG23 ' A' ' 2' ' ' THR . 1.4 ttt . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 105.373 -2.084 . . . . 10.0 105.373 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -167.49 -178.87 4.15 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 112.916 -1.947 . . . . 10.0 107.854 -179.606 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.507 ' HG2' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -134.78 -40.18 0.78 Allowed 'General case' 0 N--CA 1.435 -1.177 0 O-C-N 128.528 3.642 . . . . 10.0 113.821 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 57.02 63.1 2.01 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 103.75 -2.685 . . . . 10.0 103.75 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.96 -65.12 0.74 Allowed 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 105.642 -1.984 . . . . 10.0 105.642 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.491 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 0.0 OUTLIER -31.92 92.21 0.01 OUTLIER 'General case' 0 N--CA 1.446 -0.628 1 O-C-N 130.753 5.033 . . . . 10.0 114.668 -179.994 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.01 167.15 39.93 Favored Glycine 0 C--O 1.208 -1.482 0 CA-C-O 117.2 -1.889 . . . . 10.0 113.688 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.517 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.1 m -101.08 150.13 23.24 Favored 'General case' 0 C--N 1.312 -1.063 1 O-C-N 133.629 6.135 . . . . 10.0 108.521 179.879 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.842 ' CE3' HD11 ' A' ' 116' ' ' LEU . 0.0 OUTLIER -161.91 73.11 0.4 Allowed 'General case' 0 CA--C 1.501 -0.931 0 O-C-N 126.711 2.507 . . . . 10.0 111.456 -178.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.407 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 1.9 mm-40 -47.88 102.9 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.113 0 O-C-N 126.866 2.604 . . . . 10.0 107.83 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.506 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -48.62 124.72 8.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 127.43 2.956 . . . . 10.0 106.222 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -86.1 -53.57 4.98 Favored 'General case' 0 C--O 1.199 -1.589 1 O-C-N 130.099 4.625 . . . . 10.0 109.209 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.307 1.5 m -176.26 -177.84 0.91 Allowed 'General case' 0 C--N 1.36 1.026 0 CA-C-N 110.551 -3.022 . . . . 10.0 112.873 -179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -124.33 117.47 24.57 Favored 'General case' 0 C--O 1.203 -1.387 0 CA-C-N 108.989 -3.732 . . . . 10.0 109.141 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -77.6 62.15 2.47 Favored 'General case' 0 CA--C 1.478 -1.826 1 O-C-N 130.078 4.611 . . . . 10.0 114.467 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 179.8 -58.21 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.339 0 O-C-N 120.472 -1.393 . . . . 10.0 113.236 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 58.4 m-85 75.72 -55.35 0.62 Allowed 'General case' 0 CA--C 1.495 -1.167 1 O-C-N 130.051 4.594 . . . . 10.0 111.553 -179.247 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.251 44.7 mt-10 -53.57 -47.16 70.34 Favored 'General case' 0 CA--C 1.508 -0.659 0 N-CA-C 118.356 2.725 . . . . 10.0 118.356 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.0 -20.28 70.67 Favored Glycine 0 N--CA 1.48 1.57 0 C-N-CA 114.432 -3.747 . . . . 10.0 110.138 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . 0.257 2.0 t80 -71.93 -25.65 61.98 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-O 124.721 2.2 . . . . 10.0 107.765 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.402 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 2.0 ttt -77.45 -43.27 32.94 Favored 'General case' 0 N--CA 1.488 1.447 0 CA-C-N 112.13 -2.305 . . . . 10.0 108.467 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.8 tppt? -59.05 -33.34 70.66 Favored 'General case' 0 C--N 1.315 -0.908 0 O-C-N 128.543 3.652 . . . . 10.0 116.463 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.65 -21.24 25.98 Favored 'General case' 0 C--O 1.201 -1.492 0 CA-C-N 112.123 -2.308 . . . . 10.0 114.55 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.463 ' CD1' H183 ' A' ' 135' ' ' RTL . 19.9 mt -127.77 -56.82 1.28 Allowed 'General case' 0 C--O 1.217 -0.628 0 CA-C-N 110.972 -2.831 . . . . 10.0 106.948 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.6 t0 78.21 45.01 0.07 Allowed 'General case' 0 C--O 1.198 -1.617 0 C-N-CA 126.929 2.092 . . . . 10.0 107.832 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' A' ' 79' ' ' ASP . 14.3 mt -51.58 -59.48 1.35 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.741 0 CA-C-N 109.189 -3.642 . . . . 10.0 107.779 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 172.39 -178.38 0.07 Allowed 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 110.164 -3.198 . . . . 10.0 107.816 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -68.67 -20.36 64.44 Favored 'General case' 0 C--O 1.205 -1.276 0 O-C-N 125.44 1.713 . . . . 10.0 113.389 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -69.41 -36.31 76.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 CA-C-O 122.395 1.093 . . . . 10.0 112.354 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.407 HG23 ' H42' ' A' ' 135' ' ' RTL . 1.0 OUTLIER -57.6 -42.32 82.99 Favored 'General case' 0 C--N 1.359 0.995 0 CA-C-O 115.1 -2.381 . . . . 10.0 117.104 -179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.69 -43.87 24.97 Favored 'General case' 0 CA--C 1.492 -1.25 1 O-C-N 131.748 5.655 . . . . 10.0 109.13 -179.708 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.6 ttpt -68.35 -26.66 65.7 Favored 'General case' 0 CA--C 1.486 -1.51 0 C-N-CA 118.461 -1.296 . . . . 10.0 113.718 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG12 ' CZ ' ' A' ' 58' ' ' PHE . 0.1 OUTLIER -77.51 -46.72 27.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 129.09 3.993 . . . . 10.0 108.821 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.05 -22.11 64.05 Favored 'General case' 0 C--O 1.214 -0.769 0 CA-C-O 126.33 2.967 . . . . 10.0 111.871 179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 31' ' ' ARG . 1.4 t -62.46 -42.47 95.8 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.289 0 CA-C-N 111.944 -2.389 . . . . 10.0 117.042 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.67 -12.64 15.85 Favored 'General case' 0 C--O 1.211 -0.95 0 O-C-N 125.709 1.881 . . . . 10.0 114.656 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -63.9 147.01 52.97 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 128.585 3.678 . . . . 10.0 107.358 179.814 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 11' ' ' MET . 0.2 OUTLIER -140.07 46.48 1.84 Allowed 'General case' 0 N--CA 1.488 1.434 1 O-C-N 131.275 5.359 . . . . 10.0 109.74 -179.927 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' MET . 2.5 pt20 -60.94 164.62 4.75 Favored 'General case' 0 C--O 1.211 -0.951 0 N-CA-C 117.136 2.273 . . . . 10.0 117.136 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -94.66 142.4 27.49 Favored 'General case' 0 C--O 1.21 -1.002 1 O-C-N 132.522 6.139 . . . . 10.0 115.468 179.746 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -147.76 146.85 29.36 Favored 'General case' 0 N--CA 1.486 1.344 0 CA-C-N 110.533 -3.03 . . . . 10.0 109.06 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.5 tt -160.26 118.49 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 127.734 3.146 . . . . 10.0 112.393 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.627 HG22 ' N ' ' A' ' 44' ' ' VAL 0.315 53.5 mt -89.6 168.53 1.51 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.951 0 CA-C-N 110.993 -2.822 . . . . 10.0 110.758 -179.854 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' O ' ' A' ' 51' ' ' LYS . 5.2 p -166.16 70.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.196 -1.762 0 O-C-N 126.781 2.551 . . . . 10.0 112.339 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' ' N ' ' A' ' 46' ' ' ASP . 52.8 tt0 -40.81 145.52 0.19 Allowed 'General case' 0 CA--C 1.492 -1.284 0 N-CA-C 117.555 2.428 . . . . 10.0 117.555 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' CG ' ' A' ' 45' ' ' GLN . 0.2 OUTLIER -150.89 36.73 0.62 Allowed 'General case' 0 N--CA 1.483 1.222 2 CA-C-N 107.025 -4.625 . . . . 10.0 113.468 179.733 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.15 -96.09 1.88 Allowed Glycine 0 C--O 1.206 -1.605 0 N-CA-C 116.188 1.235 . . . . 10.0 116.188 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -117.05 12.27 14.5 Favored 'General case' 0 C--O 1.218 -0.59 0 CA-C-N 112.523 -1.838 . . . . 10.0 111.01 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -143.54 100.45 3.6 Favored 'General case' 0 C--O 1.221 -0.412 1 O-C-N 129.98 4.55 . . . . 10.0 109.104 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . 0.288 0.1 OUTLIER -114.76 149.63 36.61 Favored 'General case' 0 CA--C 1.511 -0.526 0 O-C-N 127.716 3.135 . . . . 10.0 113.926 -179.829 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.746 ' O ' HG12 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -132.95 132.9 42.5 Favored 'General case' 0 CA--C 1.478 -1.795 0 O-C-N 128.447 3.592 . . . . 10.0 115.196 -179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.544 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.303 0.5 OUTLIER -147.11 149.33 32.83 Favored 'General case' 0 C--N 1.358 0.957 0 O-C-N 128.131 3.394 . . . . 10.0 112.76 -179.83 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.96 161.76 40.12 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 118.74 -1.184 . . . . 10.0 109.456 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.6 HG21 ' H10' ' A' ' 135' ' ' RTL . 4.4 p -109.84 142.51 41.02 Favored 'General case' 0 C--N 1.317 -0.826 0 O-C-N 128.754 3.784 . . . . 10.0 108.943 179.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -118.54 47.25 1.66 Allowed 'General case' 0 N--CA 1.482 1.146 0 O-C-N 121.222 -0.924 . . . . 10.0 112.15 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 161.51 28.1 Favored 'General case' 0 CA--C 1.492 -1.252 0 O-C-N 125.704 1.878 . . . . 10.0 107.076 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -88.24 -20.6 25.28 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 126.346 2.279 . . . . 10.0 108.967 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.527 ' CZ ' HG12 ' A' ' 33' ' ' ILE . 0.2 OUTLIER -95.76 -2.08 48.47 Favored 'General case' 0 C--N 1.362 1.114 0 CA-C-N 112.874 -1.966 . . . . 10.0 115.227 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.474 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 1.9 tpt180 177.5 143.71 0.1 Allowed 'General case' 0 C--O 1.214 -0.763 1 O-C-N 129.562 4.289 . . . . 10.0 116.522 -179.65 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -116.14 85.31 2.27 Favored 'General case' 0 C--O 1.2 -1.54 0 O-C-N 127.493 2.996 . . . . 10.0 105.017 179.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.475 ' CE2' ' CD2' ' A' ' 63' ' ' LEU . 37.1 t80 -114.16 119.06 35.79 Favored 'General case' 0 CA--C 1.507 -0.706 1 CA-C-N 108.317 -4.038 . . . . 10.0 108.686 -179.358 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -116.72 134.16 55.14 Favored 'General case' 0 C--O 1.205 -1.237 1 O-C-N 130.278 4.736 . . . . 10.0 110.099 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.544 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.7 OUTLIER -95.43 50.26 1.23 Allowed 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 129.561 4.288 . . . . 10.0 116.381 -179.91 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.73 117.79 6.29 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 104.303 -2.48 . . . . 10.0 104.303 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.538 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 28.5 t80 -162.07 165.21 27.53 Favored 'General case' 0 CA--C 1.481 -1.675 0 CA-C-O 126.341 2.972 . . . . 10.0 108.224 -179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . 0.313 0.1 OUTLIER -98.83 170.37 8.8 Favored 'General case' 0 C--O 1.209 -1.051 0 O-C-N 117.229 -3.419 . . . . 10.0 103.737 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.524 HG11 ' CD1' ' A' ' 89' ' ' TRP . 18.8 t -96.53 89.98 2.29 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.12 0 O-C-N 126.284 2.24 . . . . 10.0 114.888 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.66 -30.21 9.43 Favored Glycine 0 C--N 1.36 1.872 0 O-C-N 127.384 2.927 . . . . 10.0 114.583 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.0 t -84.3 90.84 2.74 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.039 0 N-CA-C 104.049 -2.575 . . . . 10.0 104.049 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.252 0.0 OUTLIER -45.8 151.51 0.43 Allowed 'General case' 0 C--N 1.361 1.067 1 O-C-N 130.287 4.742 . . . . 10.0 115.906 -179.833 . . . . . . . . 4 3 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 18.1 t80 -150.91 115.03 5.04 Favored 'General case' 0 N--CA 1.44 -0.935 0 CA-C-N 110.114 -3.221 . . . . 10.0 114.751 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 84' ' ' LYS . 12.0 t70 -61.95 97.56 0.08 Allowed 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 115.657 1.725 . . . . 10.0 115.657 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.473 ' HB2' ' CG2' ' A' ' 83' ' ' VAL . 5.5 mm-40 -89.29 -176.62 5.15 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 126.362 2.982 . . . . 10.0 110.675 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.476 ' CD2' ' HG3' ' A' ' 76' ' ' LYS . 0.1 OUTLIER -128.16 127.89 43.79 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 110.457 -3.065 . . . . 10.0 111.433 -179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.65 27.2 8.2 Favored 'General case' 0 C--O 1.196 -1.745 0 CA-C-O 123.722 1.725 . . . . 10.0 109.858 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.476 ' HG3' ' CD2' ' A' ' 74' ' ' HIS . 17.5 mtpt -56.99 99.39 0.04 OUTLIER 'General case' 0 N--CA 1.441 -0.895 0 CA-C-N 112.379 -2.192 . . . . 10.0 113.98 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 127.32 -31.37 3.84 Favored Glycine 0 C--O 1.206 -1.597 0 CA-C-N 111.922 -2.399 . . . . 10.0 113.491 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.483 HD21 ' H22' ' A' ' 135' ' ' RTL . 6.1 mt -91.52 8.3 37.17 Favored 'General case' 0 C--N 1.352 0.71 0 O-C-N 129.316 3.597 . . . . 10.0 112.996 -179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' HB2' HG12 ' A' ' 26' ' ' ILE . 41.9 t0 66.63 61.59 0.54 Allowed 'General case' 0 CA--C 1.497 -1.064 0 O-C-N 120.046 -1.659 . . . . 10.0 113.784 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -143.18 -54.73 0.03 OUTLIER Glycine 0 CA--C 1.488 -1.632 0 CA-C-O 124.301 2.056 . . . . 10.0 113.52 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 64.57 -2.14 0.69 Allowed 'General case' 0 CA--C 1.502 -0.891 0 CA-C-N 111.259 -2.471 . . . . 10.0 115.95 179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -176.04 107.89 0.08 Allowed 'General case' 0 C--O 1.211 -0.965 0 C-N-CA 118.27 -1.372 . . . . 10.0 112.752 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.499 HG12 ' HA3' ' A' ' 100' ' ' GLY . 0.9 OUTLIER -139.1 171.4 14.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.613 0 O-C-N 124.943 1.402 . . . . 10.0 111.553 179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 72' ' ' ASP . 0.0 OUTLIER -152.84 123.69 7.4 Favored 'General case' 0 C--N 1.316 -0.882 1 O-C-N 133.209 6.568 . . . . 10.0 108.263 179.862 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.538 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -105.7 152.63 22.92 Favored 'General case' 0 C--O 1.214 -0.793 0 CA-C-N 113.364 -1.744 . . . . 10.0 112.776 -179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 8.0 tt -148.36 114.27 5.76 Favored 'General case' 0 C--O 1.208 -1.089 0 O-C-N 128.995 3.934 . . . . 10.0 111.322 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.7 t -115.24 140.31 37.23 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.032 0 O-C-N 119.701 -1.874 . . . . 10.0 115.018 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 52.4 m -143.65 127.82 17.64 Favored 'General case' 0 CA--C 1.483 -1.611 0 CA-C-N 113.381 -1.736 . . . . 10.0 109.585 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.524 ' CD1' HG11 ' A' ' 67' ' ' VAL . 37.6 m95 -63.94 130.14 42.9 Favored 'General case' 0 C--N 1.365 1.253 0 CA-C-O 116.295 -1.812 . . . . 10.0 109.272 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.44 45.98 1.33 Allowed 'General case' 0 C--O 1.199 -1.603 2 CA-C-O 129.725 4.583 . . . . 10.0 113.884 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 105.48 -78.89 0.27 Allowed Glycine 0 N--CA 1.483 1.773 1 CA-C-N 107.754 -4.293 . . . . 10.0 104.153 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -132.59 48.48 2.41 Favored 'General case' 0 C--O 1.212 -0.907 1 O-C-N 131.382 4.813 . . . . 10.0 107.29 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.614 ' O ' HD23 ' A' ' 94' ' ' LEU . 0.2 OUTLIER -136.86 -147.05 0.24 Allowed 'General case' 0 C--N 1.349 0.558 0 CA-C-O 115.11 -2.376 . . . . 10.0 112.994 -179.714 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 93' ' ' THR . 0.6 OUTLIER 162.51 60.13 0.0 OUTLIER 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 128.482 3.614 . . . . 10.0 112.874 179.776 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . 0.251 78.7 t -53.95 113.88 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.494 -1.182 2 O-C-N 129.766 4.417 . . . . 10.0 112.616 -179.838 . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.401 ' O ' ' HA3' ' A' ' 106' ' ' GLY . 8.5 t -109.1 154.49 22.2 Favored 'General case' 0 C--O 1.197 -1.675 0 N-CA-C 105.977 -1.86 . . . . 10.0 105.977 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.56 119.23 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-O 126.588 3.09 . . . . 10.0 112.3 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' CB ' ' HB3' ' A' ' 105' ' ' ARG . 0.0 OUTLIER -93.1 160.93 14.64 Favored 'General case' 0 N--CA 1.44 -0.954 0 CA-C-N 113.069 -1.878 . . . . 10.0 111.134 -179.785 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.9 mmtt -143.15 41.99 1.52 Allowed 'General case' 0 C--O 1.213 -0.824 0 O-C-N 125.532 1.77 . . . . 10.0 109.778 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.499 ' HA3' HG12 ' A' ' 83' ' ' VAL . . . -99.74 47.69 1.3 Allowed Glycine 0 C--O 1.215 -1.056 0 O-C-N 125.467 1.729 . . . . 10.0 113.161 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 91.31 16.19 0.03 OUTLIER 'General case' 0 C--O 1.207 -1.166 0 CA-C-N 110.686 -2.757 . . . . 10.0 108.64 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -102.41 -61.49 1.39 Allowed 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.414 -2.175 . . . . 10.0 111.932 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 53.95 22.97 3.65 Favored 'General case' 0 C--O 1.201 -1.458 0 CA-C-N 109.172 -3.649 . . . . 10.0 117.608 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -169.81 49.86 0.03 OUTLIER 'General case' 0 C--O 1.239 0.507 2 O-C-N 130.544 4.903 . . . . 10.0 109.544 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.447 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 4.3 ttp180 -124.56 94.65 4.26 Favored 'General case' 0 C--O 1.213 -0.823 0 C-N-CA 126.636 1.974 . . . . 10.0 112.611 179.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -130.23 171.73 20.47 Favored Glycine 0 C--O 1.204 -1.756 2 O-C-N 130.238 4.711 . . . . 10.0 117.051 179.734 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.771 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.09 110.77 7.59 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 129.126 3.486 . . . . 10.0 114.995 -179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -92.43 64.7 4.37 Favored 'General case' 0 C--O 1.204 -1.304 0 O-C-N 127.397 2.936 . . . . 10.0 111.649 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.847 ' HG3' HD13 ' A' ' 118' ' ' LEU . 4.1 mt-30 -83.07 101.43 11.13 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 113.739 -3.029 . . . . 10.0 105.32 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.597 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -98.56 -8.67 26.11 Favored 'General case' 0 N--CA 1.492 1.653 1 O-C-N 130.486 4.866 . . . . 10.0 116.676 -179.764 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.4 t 55.23 127.53 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.396 0 N-CA-C 119.604 3.187 . . . . 10.0 119.604 179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -120.85 -18.73 7.54 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 110.286 -3.143 . . . . 10.0 115.43 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.59 100.47 2.65 Favored Glycine 0 C--O 1.205 -1.695 0 O-C-N 120.468 -1.395 . . . . 10.0 112.074 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 81.89 -23.84 0.2 Allowed 'General case' 0 N--CA 1.432 -1.342 0 N-CA-C 118.4 2.741 . . . . 10.0 118.4 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.9 tptt -140.87 114.88 9.12 Favored 'General case' 0 CA--C 1.496 -1.117 1 O-C-N 130.377 4.798 . . . . 10.0 109.281 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.842 HD11 ' CE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -120.19 164.61 15.96 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 126.369 2.293 . . . . 10.0 111.082 179.7 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.597 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 20.7 m-85 -127.35 77.7 1.76 Allowed 'General case' 0 C--O 1.202 -1.397 0 O-C-N 127.407 2.942 . . . . 10.0 110.137 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.847 HD13 ' HG3' ' A' ' 109' ' ' GLN . 11.4 tp -68.4 131.11 44.74 Favored 'General case' 0 N--CA 1.479 1.017 2 CA-C-N 107.062 -4.608 . . . . 10.0 107.129 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -118.52 99.52 6.86 Favored 'General case' 0 CA--C 1.486 -1.508 0 O-C-N 124.675 1.235 . . . . 10.0 109.748 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.478 HD22 ' HA ' ' A' ' 120' ' ' LEU . 0.1 OUTLIER -72.97 146.37 46.06 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 128.454 3.596 . . . . 10.0 107.992 179.728 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.2 p -126.3 13.69 7.7 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 112.858 -1.974 . . . . 10.0 107.04 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.447 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 24.7 p -55.41 152.6 8.45 Favored 'General case' 0 CA--C 1.483 -1.619 0 O-C-N 125.236 1.585 . . . . 10.0 111.704 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 73.21 -160.83 54.1 Favored Glycine 0 CA--C 1.529 0.947 0 CA-C-N 112.121 -2.309 . . . . 10.0 109.028 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.93 -6.92 53.44 Favored 'General case' 0 C--O 1.213 -0.866 0 C-N-CA 127.827 2.451 . . . . 10.0 110.04 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.33 -166.15 1.08 Allowed 'General case' 0 C--O 1.208 -1.116 1 O-C-N 130.549 4.906 . . . . 10.0 107.63 -179.757 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 34.7 t -140.24 136.1 36.99 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.061 0 CA-C-N 110.537 -3.028 . . . . 10.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 3.7 m -133.02 168.09 19.12 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 106.785 -1.561 . . . . 10.0 106.785 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.21 102.58 8.22 Favored 'General case' 0 CA--C 1.486 -1.516 0 O-C-N 128.241 3.463 . . . . 10.0 112.405 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 0.6 OUTLIER -64.43 146.59 54.26 Favored 'General case' 0 CA--C 1.501 -0.928 0 C-N-CA 116.497 -2.081 . . . . 10.0 113.041 179.604 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 89.4 t -125.02 108.27 19.72 Favored 'Isoleucine or valine' 0 C--O 1.199 -1.556 0 CA-C-O 125.505 2.574 . . . . 10.0 104.228 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.621 ' CE1' HD23 ' A' ' 118' ' ' LEU . 3.5 m-85 -111.99 154.57 25.12 Favored 'General case' 0 CA--C 1.502 -0.877 0 CA-C-N 110.452 -3.067 . . . . 10.0 111.091 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.555 ' O ' ' HB2' ' A' ' 133' ' ' LYS . 0.3 OUTLIER -168.51 147.97 4.44 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-O 112.851 -3.452 . . . . 10.0 106.124 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.555 ' HB2' ' O ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER 122.91 -168.05 0.0 OUTLIER 'General case' 0 C--N 1.31 -1.137 1 O-C-N 135.603 8.065 . . . . 10.0 110.973 -179.491 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.435 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.486 -1.485 0 N-CA-C 116.934 2.198 . . . . 10.0 116.934 -178.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.6 ' H10' HG21 ' A' ' 54' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 ptp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 108.915 -0.772 . . . . 10.0 108.915 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.13 -66.75 0.95 Allowed 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.597 1.186 . . . . 10.0 108.47 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.5 ' HD3' ' CH2' ' A' ' 89' ' ' TRP . 6.5 ptpp? -135.73 172.19 13.37 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 150.49 90.98 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.025 0 N-CA-C 103.103 -2.925 . . . . 10.0 103.103 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.599 ' OE1' HD13 ' A' ' 43' ' ' ILE . 4.2 mm-40 -55.73 -70.38 0.11 Allowed 'General case' 0 C--N 1.314 -0.935 0 O-C-N 128.113 3.383 . . . . 10.0 106.882 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.489 ' ND2' ' H ' ' A' ' 45' ' ' GLN . 0.0 OUTLIER -3.12 96.95 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.457 1 O-C-N 130.918 5.136 . . . . 10.0 113.104 179.83 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.88 179.85 41.42 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 114.821 -3.211 . . . . 10.0 111.815 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.527 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 20.8 m -117.22 152.42 34.84 Favored 'General case' 0 C--O 1.203 -1.382 1 O-C-N 134.361 6.565 . . . . 10.0 103.973 -179.232 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.651 ' CD1' ' HD2' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -169.16 86.78 0.16 Allowed 'General case' 0 CA--C 1.491 -1.316 1 O-C-N 129.436 4.21 . . . . 10.0 113.068 -178.637 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -60.77 105.47 0.46 Allowed 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 107.935 -1.135 . . . . 10.0 107.935 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.555 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.251 0.0 OUTLIER -52.35 135.02 33.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 126.767 2.542 . . . . 10.0 110.45 179.967 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -98.28 -68.17 0.81 Allowed 'General case' 0 N--CA 1.447 -0.605 0 O-C-N 128.997 3.936 . . . . 10.0 109.968 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . 0.255 0.4 OUTLIER -147.82 176.14 10.37 Favored 'General case' 0 C--N 1.355 0.81 0 CA-C-O 125.172 2.415 . . . . 10.0 113.013 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 4.5 m-80 -149.57 117.2 6.18 Favored 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 108.806 -3.816 . . . . 10.0 112.391 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -78.38 -177.3 5.16 Favored 'General case' 0 CA--C 1.507 -0.696 0 O-C-N 128.022 3.327 . . . . 10.0 108.321 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.8 t30 34.67 52.1 0.54 Allowed 'General case' 0 C--O 1.202 -1.403 0 CA-C-O 126.109 2.861 . . . . 10.0 108.47 179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.554 ' CE1' ' HA ' ' A' ' 35' ' ' VAL . 43.3 m-85 -40.77 -40.38 1.32 Allowed 'General case' 0 CA--C 1.496 -1.132 0 CA-C-O 127.973 3.749 . . . . 10.0 114.43 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -53.65 -31.37 47.2 Favored 'General case' 0 N--CA 1.429 -1.48 0 O-C-N 117.6 -3.187 . . . . 10.0 118.385 179.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.06 -23.35 63.82 Favored Glycine 0 N--CA 1.479 1.547 0 O-C-N 127.047 2.717 . . . . 10.0 106.418 179.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.605 ' OH ' H192 ' A' ' 135' ' ' RTL . 1.7 t80 -64.54 -32.87 74.7 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 126.322 2.963 . . . . 10.0 108.191 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -79.82 -41.49 26.29 Favored 'General case' 0 CA--C 1.489 -1.395 0 CA-C-N 111.202 -2.726 . . . . 10.0 110.533 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -70.74 -20.26 62.65 Favored 'General case' 0 C--O 1.205 -1.274 0 O-C-N 126.511 2.382 . . . . 10.0 115.322 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.52 -21.03 61.97 Favored 'General case' 0 C--O 1.204 -1.315 1 O-C-N 130.502 4.876 . . . . 10.0 112.196 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.62 HD11 H183 ' A' ' 135' ' ' RTL . 0.4 OUTLIER -163.75 86.36 0.5 Allowed 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 108.82 -3.809 . . . . 10.0 105.376 179.834 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.06 79.94 0.01 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 CA-C-N 109.865 -3.334 . . . . 10.0 111.254 -179.07 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 24' ' ' LEU . 34.6 mt -72.44 -71.7 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.835 0 CA-C-O 128.397 3.951 . . . . 10.0 106.817 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -170.55 -172.58 1.25 Allowed 'General case' 0 N--CA 1.484 1.264 0 CA-C-N 109.104 -3.68 . . . . 10.0 108.483 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 56.7 m-85 -79.53 -20.76 46.37 Favored 'General case' 0 CA--C 1.493 -1.22 0 CA-C-O 123.923 1.82 . . . . 10.0 113.786 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -62.08 -34.42 76.26 Favored 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 124.106 1.907 . . . . 10.0 110.829 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.429 HG21 HD12 ' A' ' 26' ' ' ILE . 23.5 m -56.14 -54.47 44.67 Favored 'General case' 0 C--N 1.353 0.723 0 CA-C-O 114.876 -2.487 . . . . 10.0 116.521 179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.86 -40.23 94.63 Favored 'General case' 0 CA--C 1.504 -0.82 1 O-C-N 132.435 6.085 . . . . 10.0 113.341 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.8 tttt -79.91 -32.16 40.21 Favored 'General case' 0 C--O 1.205 -1.257 0 O-C-N 127.337 2.898 . . . . 10.0 110.081 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.447 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -77.22 -36.16 23.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.623 1 O-C-N 129.293 4.121 . . . . 10.0 112.358 -179.38 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HA ' ' HB2' ' A' ' 37' ' ' LEU . . . -78.71 -23.42 45.54 Favored 'General case' 0 C--O 1.201 -1.466 0 CA-C-O 125.776 2.703 . . . . 10.0 107.483 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 ' HA ' ' CE1' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -56.01 -27.45 23.05 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 CA-C-N 113.36 -1.746 . . . . 10.0 114.493 179.684 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.96 -12.51 5.28 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 112.036 -2.347 . . . . 10.0 115.892 -179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD22 ' HG3' ' A' ' 39' ' ' GLN . 0.6 OUTLIER -56.41 119.48 6.1 Favored 'General case' 0 C--N 1.317 -0.817 0 O-C-N 125.6 1.813 . . . . 10.0 110.148 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.09 58.81 0.72 Allowed 'General case' 0 N--CA 1.482 1.153 1 O-C-N 130.078 4.612 . . . . 10.0 109.966 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.62 ' HG3' HD22 ' A' ' 37' ' ' LEU . 6.8 mt-30 -47.42 172.98 0.01 OUTLIER 'General case' 0 CA--C 1.493 -1.244 0 O-C-N 128.281 3.488 . . . . 10.0 116.435 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -139.83 143.53 36.86 Favored 'General case' 0 N--CA 1.435 -1.22 1 O-C-N 130.193 4.683 . . . . 10.0 112.329 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.651 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -171.59 174.36 4.39 Favored 'General case' 0 N--CA 1.485 1.299 1 O-C-N 129.144 4.028 . . . . 10.0 108.241 179.98 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' C ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -173.02 116.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 127.322 2.888 . . . . 10.0 111.408 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.599 HD13 ' OE1' ' A' ' 5' ' ' GLN 0.363 43.9 mt -82.09 173.41 0.95 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.731 0 CA-C-N 109.146 -3.661 . . . . 10.0 107.488 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.565 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.2 p -169.57 104.36 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.884 0 O-C-N 125.751 1.907 . . . . 10.0 111.64 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.489 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 31.0 mt-30 -80.58 155.67 26.8 Favored 'General case' 0 CA--C 1.487 -1.462 0 N-CA-C 119.735 3.235 . . . . 10.0 119.735 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.9 29.83 0.36 Allowed 'General case' 0 N--CA 1.484 1.244 2 CA-C-N 107.799 -4.273 . . . . 10.0 111.277 179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.45 -112.67 3.2 Favored Glycine 0 N--CA 1.473 1.139 0 N-CA-C 109.766 -1.334 . . . . 10.0 109.766 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 67' ' ' VAL . 0.6 OUTLIER -88.11 -20.01 26.26 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 116.725 -1.99 . . . . 10.0 109.249 178.318 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.29 127.66 35.18 Favored 'General case' 0 N--CA 1.438 -1.049 0 CA-C-O 114.092 -2.861 . . . . 10.0 111.603 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.67 156.13 6.31 Favored 'General case' 0 CA--C 1.489 -1.396 1 O-C-N 130.563 4.914 . . . . 10.0 117.837 -179.653 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.23 149.57 28.09 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 126.477 2.36 . . . . 10.0 115.584 -179.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.26 0.0 OUTLIER -142.7 154.52 44.38 Favored 'General case' 0 CA--C 1.5 -0.95 2 O-C-N 131.689 5.618 . . . . 10.0 112.764 -179.506 . . . . . . . . 5 4 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.48 -174.74 3.25 Favored 'General case' 0 CA--C 1.494 -1.205 0 CA-C-N 113.606 -1.634 . . . . 10.0 107.554 179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.648 HG21 ' H10' ' A' ' 135' ' ' RTL . 0.5 OUTLIER -143.69 128.24 18.05 Favored 'General case' 0 C--N 1.313 -0.995 0 O-C-N 127.145 2.778 . . . . 10.0 109.224 179.763 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -108.37 79.23 1.23 Allowed 'General case' 0 N--CA 1.484 1.25 0 O-C-N 125.837 1.961 . . . . 10.0 113.554 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.45 141.74 38.39 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 128.741 3.776 . . . . 10.0 106.632 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.2 p -71.98 -35.87 69.62 Favored 'General case' 0 C--O 1.211 -0.972 1 O-C-N 129.683 4.364 . . . . 10.0 109.106 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -72.23 -57.73 3.99 Favored 'General case' 0 C--O 1.241 0.657 0 O-C-N 126.182 2.176 . . . . 10.0 116.521 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.717 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -152.84 122.75 6.95 Favored 'General case' 0 C--O 1.209 -1.03 0 N-CA-C 116.041 1.867 . . . . 10.0 116.041 179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -76.26 160.18 29.9 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 127.214 2.821 . . . . 10.0 110.096 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.598 ' HB2' HD11 ' A' ' 78' ' ' LEU . 40.0 t80 -168.01 148.49 5.01 Favored 'General case' 0 N--CA 1.445 -0.679 1 O-C-N 129.882 4.488 . . . . 10.0 110.701 179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -128.06 152.07 48.4 Favored 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 127.135 2.772 . . . . 10.0 109.994 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 HD23 ' CE2' ' A' ' 61' ' ' TYR . 0.2 OUTLIER -126.53 49.79 1.99 Allowed 'General case' 0 CA--C 1.501 -0.929 0 O-C-N 126.246 2.216 . . . . 10.0 113.174 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -61.26 131.43 50.36 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 106.113 -1.81 . . . . 10.0 106.113 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.595 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 18.7 t80 -175.28 150.81 1.18 Allowed 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 125.313 2.482 . . . . 10.0 108.566 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -91.49 -176.83 4.64 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 119.88 -1.763 . . . . 10.0 109.444 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.479 ' N ' ' O ' ' A' ' 48' ' ' ASP . 84.5 t -98.29 122.22 49.7 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 O-C-N 126.157 2.161 . . . . 10.0 114.223 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 53.76 22.06 17.33 Favored Glycine 0 C--O 1.21 -1.367 0 CA-C-N 110.133 -3.212 . . . . 10.0 115.493 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' HG12 ' A' ' 69' ' ' VAL . 46.9 t -129.11 72.31 0.43 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 N-CA-C 103.234 -2.876 . . . . 10.0 103.234 179.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -33.28 137.07 0.09 Allowed 'General case' 0 C--O 1.219 -0.548 2 O-C-N 133.26 6.6 . . . . 10.0 113.367 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -154.37 117.87 4.58 Favored 'General case' 0 CA--C 1.497 -1.074 0 CA-C-N 110.969 -2.832 . . . . 10.0 116.438 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.55 152.71 0.09 Allowed 'General case' 0 CA--C 1.501 -0.939 0 C-N-CA 125.551 1.54 . . . . 10.0 112.442 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.23 176.4 11.25 Favored 'General case' 0 CA--C 1.489 -1.39 0 CA-C-O 124.311 2.005 . . . . 10.0 111.684 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -150.94 138.67 19.77 Favored 'General case' 0 C--O 1.206 -1.224 0 CA-C-N 114.311 -1.313 . . . . 10.0 111.851 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.1 p -114.04 31.39 6.59 Favored 'General case' 0 C--O 1.195 -1.784 0 O-C-N 127.87 3.231 . . . . 10.0 109.608 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -41.14 -53.17 3.16 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 111.666 -2.515 . . . . 10.0 116.746 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -50.9 -41.32 44.46 Favored Glycine 0 CA--C 1.526 0.756 0 CA-C-N 112.279 -2.237 . . . . 10.0 113.474 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.868 HD21 H172 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -70.13 -95.3 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 O-C-N 129.536 3.727 . . . . 10.0 115.54 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.514 ' HB3' ' HD2' ' A' ' 81' ' ' ARG . 32.5 t70 -107.25 -26.19 11.16 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 124.284 0.99 . . . . 10.0 112.772 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.77 64.28 0.96 Allowed Glycine 0 N--CA 1.476 1.316 0 CA-C-O 125.108 2.505 . . . . 10.0 116.738 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.514 ' HD2' ' HB3' ' A' ' 79' ' ' ASP . 0.0 OUTLIER -113.53 167.27 10.74 Favored 'General case' 0 C--N 1.351 0.632 1 CA-C-N 107.91 -4.145 . . . . 10.0 112.285 -179.866 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -123.05 127.05 48.23 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 127.305 2.878 . . . . 10.0 108.493 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.713 HG21 ' NE2' ' A' ' 98' ' ' GLN . 4.2 m -146.72 165.11 7.77 Favored 'Isoleucine or valine' 0 C--N 1.363 1.153 0 O-C-N 126.609 2.443 . . . . 10.0 116.755 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -126.22 110.51 13.53 Favored 'General case' 0 C--N 1.318 -0.787 1 O-C-N 129.623 4.327 . . . . 10.0 107.95 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.595 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.8 OUTLIER -88.19 133.74 33.95 Favored 'General case' 0 C--O 1.2 -1.525 0 O-C-N 126.782 2.551 . . . . 10.0 117.263 179.81 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.8 tt -135.82 138.36 42.48 Favored 'General case' 0 C--O 1.213 -0.828 0 O-C-N 126.411 2.32 . . . . 10.0 109.858 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.447 ' CG1' ' N ' ' A' ' 88' ' ' THR . 2.8 t -126.26 150.55 31.92 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.792 0 CA-C-O 126.11 2.862 . . . . 10.0 109.716 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.447 ' N ' ' CG1' ' A' ' 87' ' ' VAL 0.263 2.0 m -158.62 127.1 5.33 Favored 'General case' 0 CA--C 1.487 -1.449 0 CA-C-N 110.633 -2.985 . . . . 10.0 106.321 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.5 ' CH2' ' HD3' ' A' ' 3' ' ' LYS . 65.5 m95 -59.06 167.5 1.65 Allowed 'General case' 0 N--CA 1.436 -1.16 0 O-C-N 118.682 -2.511 . . . . 10.0 107.315 179.76 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -166.53 43.05 0.06 Allowed 'General case' 0 C--O 1.196 -1.747 1 CA-C-O 130.201 4.81 . . . . 10.0 113.823 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 70.41 89.84 0.09 OUTLIER Glycine 0 N--CA 1.486 2.009 1 CA-C-N 106.231 -4.986 . . . . 10.0 105.779 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 57.37 58.06 4.07 Favored 'General case' 0 C--O 1.213 -0.841 0 O-C-N 129.654 3.797 . . . . 10.0 108.977 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.04 -154.56 0.49 Allowed 'General case' 0 C--O 1.216 -0.682 0 CA-C-O 115.814 -2.041 . . . . 10.0 111.998 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.547 ' O ' HD12 ' A' ' 94' ' ' LEU . 3.7 pp 175.78 34.65 0.0 OUTLIER 'General case' 0 CA--C 1.5 -0.961 0 O-C-N 127.801 3.188 . . . . 10.0 116.215 179.481 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 95' ' ' VAL . 38.8 t -16.08 73.72 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 O-C-N 127.448 2.967 . . . . 10.0 117.138 -179.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 49.0 t -75.47 143.85 42.39 Favored 'General case' 0 C--O 1.208 -1.088 0 O-C-N 126.622 2.451 . . . . 10.0 104.517 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -151.49 152.78 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.071 0 CA-C-O 126.498 3.047 . . . . 10.0 114.346 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.713 ' NE2' HG21 ' A' ' 83' ' ' VAL 0.259 37.2 mt-30 -120.97 149.18 43.05 Favored 'General case' 0 C--N 1.363 1.188 0 O-C-N 119.037 -2.289 . . . . 10.0 114.343 -179.886 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -150.43 158.53 44.26 Favored 'General case' 0 C--O 1.2 -1.513 0 CA-C-N 113.064 -1.88 . . . . 10.0 108.029 -179.61 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 109.74 9.84 24.09 Favored Glycine 0 N--CA 1.439 -1.155 0 O-C-N 128.945 3.903 . . . . 10.0 110.339 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -172.43 -48.01 0.02 OUTLIER 'General case' 0 C--O 1.215 -0.733 0 CA-C-N 111.828 -2.186 . . . . 10.0 110.59 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.0 OUTLIER -103.37 -48.18 4.07 Favored 'General case' 0 C--O 1.205 -1.24 0 CA-C-O 123.12 1.438 . . . . 10.0 113.664 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.551 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 15.8 mt-10 60.68 18.54 8.59 Favored 'General case' 0 N--CA 1.433 -1.279 0 N-CA-C 117.877 2.547 . . . . 10.0 117.877 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -166.42 50.87 0.08 Allowed 'General case' 0 N--CA 1.483 1.213 1 O-C-N 130.599 4.937 . . . . 10.0 108.461 179.507 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -127.19 93.95 3.88 Favored 'General case' 0 C--O 1.208 -1.08 0 O-C-N 126.566 2.416 . . . . 10.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -141.16 164.41 26.52 Favored Glycine 0 N--CA 1.439 -1.135 0 O-C-N 128.933 3.895 . . . . 10.0 116.626 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.497 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.254 0.0 OUTLIER -124.43 132.35 53.51 Favored 'General case' 0 N--CA 1.436 -1.156 0 N-CA-C 117.105 2.261 . . . . 10.0 117.105 -179.645 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -103.27 62.39 0.79 Allowed 'General case' 0 N--CA 1.445 -0.713 1 O-C-N 131.043 5.214 . . . . 10.0 115.504 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.71 ' NE2' HD13 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -74.23 77.16 1.81 Allowed 'General case' 0 N--CA 1.484 1.261 0 CA-C-N 110.197 -3.183 . . . . 10.0 108.19 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.49 ' C ' HG23 ' A' ' 111' ' ' VAL 0.256 0.2 OUTLIER -84.11 -4.98 59.16 Favored 'General case' 0 N--CA 1.491 1.6 0 C-N-CA 115.658 -2.417 . . . . 10.0 116.239 -179.757 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.49 HG23 ' C ' ' A' ' 110' ' ' TRP . 3.3 t 54.16 116.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.481 -1.706 0 N-CA-C 120.364 3.468 . . . . 10.0 120.364 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -110.6 -32.33 6.93 Favored 'General case' 0 CA--C 1.501 -0.941 0 CA-C-O 124.968 2.318 . . . . 10.0 115.322 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.58 128.16 5.53 Favored Glycine 0 C--O 1.216 -1.027 0 CA-C-N 112.867 -1.97 . . . . 10.0 112.636 -179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.402 ' HA ' ' H ' ' A' ' 133' ' ' LYS . 0.8 OUTLIER 33.59 33.98 0.01 OUTLIER 'General case' 0 C--O 1.211 -0.923 0 C-N-CA 126.995 2.118 . . . . 10.0 114.921 -179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 158.72 90.79 0.0 OUTLIER 'General case' 0 CA--C 1.499 -1.017 1 O-C-N 130.346 4.779 . . . . 10.0 110.284 179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 1.0 OUTLIER -108.98 -176.09 2.94 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 126.705 2.503 . . . . 10.0 111.136 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.487 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -135.24 71.63 1.44 Allowed 'General case' 0 C--O 1.21 -0.98 0 O-C-N 128.083 3.364 . . . . 10.0 113.454 179.654 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.71 HD13 ' NE2' ' A' ' 109' ' ' GLN . 15.3 tp -62.04 146.96 48.74 Favored 'General case' 0 C--N 1.357 0.917 1 CA-C-N 107.84 -4.254 . . . . 10.0 107.053 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -130.69 132.74 45.57 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 115.31 -2.281 . . . . 10.0 109.088 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.455 ' HA ' HD23 ' A' ' 120' ' ' LEU . 4.9 mt -105.81 108.47 20.0 Favored 'General case' 0 N--CA 1.488 1.472 1 O-C-N 130.084 4.615 . . . . 10.0 112.335 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.7 p -83.24 17.51 2.04 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 127.022 2.701 . . . . 10.0 110.552 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -62.48 163.2 9.11 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-O 122.423 1.106 . . . . 10.0 112.523 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 50.1 -167.22 0.38 Allowed Glycine 0 C--N 1.338 0.668 0 CA-C-O 124.816 2.342 . . . . 10.0 113.403 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -68.59 -42.49 78.13 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 111.754 -2.223 . . . . 10.0 107.934 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -108.66 137.82 45.98 Favored 'General case' 0 C--O 1.207 -1.134 0 O-C-N 127.904 3.253 . . . . 10.0 108.798 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 9.4 t -76.09 142.65 14.14 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.333 0 CA-C-N 110.591 -3.004 . . . . 10.0 113.826 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -123.53 161.42 24.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 N-CA-C 106.4 -1.704 . . . . 10.0 106.4 179.638 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.479 ' HG2' ' N ' ' A' ' 129' ' ' GLN . 7.4 ttm180 -117.02 144.03 45.06 Favored 'General case' 0 CA--C 1.509 -0.598 0 O-C-N 128.814 3.821 . . . . 10.0 111.783 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.603 ' HG2' HD23 ' A' ' 118' ' ' LEU . 1.7 mp0 -99.8 157.92 16.16 Favored 'General case' 0 CA--C 1.497 -1.09 0 O-C-N 127.533 3.02 . . . . 10.0 111.826 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 26.7 t -132.05 87.14 0.88 Allowed 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-O 127.153 3.359 . . . . 10.0 110.175 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.555 ' CE1' ' HG2' ' A' ' 11' ' ' MET . 3.2 m-85 -106.76 145.92 31.48 Favored 'General case' 0 CA--C 1.5 -0.949 1 CA-C-N 107.239 -4.528 . . . . 10.0 116.807 -179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -130.19 153.6 48.4 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 102.726 -3.064 . . . . 10.0 102.726 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.402 ' H ' ' HA ' ' A' ' 114' ' ' ASP . 0.7 OUTLIER -145.92 167.72 22.59 Favored 'General case' 0 C--O 1.195 -1.794 0 O-C-N 127.783 3.177 . . . . 10.0 118.64 -179.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.251 1.148 0 N-CA-C 115.913 1.82 . . . . 10.0 115.913 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.868 H172 HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 mmt . . . . . 0 N--CA 1.504 2.245 0 N-CA-C 106.924 -1.51 . . . . 10.0 106.924 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 52.8 m 60.6 86.72 0.1 Allowed 'General case' 0 C--O 1.206 -1.232 0 O-C-N 126.308 2.255 . . . . 10.0 109.436 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.547 ' HE2' ' CA ' ' A' ' 92' ' ' ASN . 2.3 mmtm -137.27 -90.02 0.25 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 126.463 2.352 . . . . 10.0 116.628 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 57.6 61.99 2.28 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 102.555 -3.128 . . . . 10.0 102.555 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.509 ' OE1' HG21 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -57.27 -58.59 7.58 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-O 113.884 -2.96 . . . . 10.0 104.145 -179.908 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.538 ' HA ' ' HA ' ' A' ' 44' ' ' VAL . 0.4 OUTLIER -48.15 91.93 0.01 OUTLIER 'General case' 0 C--O 1.219 -0.519 1 O-C-N 130.678 4.986 . . . . 10.0 110.059 179.967 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.89 -151.75 7.68 Favored Glycine 0 C--O 1.21 -1.349 0 O-C-N 127.177 2.798 . . . . 10.0 110.629 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.769 ' OG1' HD12 ' A' ' 42' ' ' ILE . 2.0 m -161.27 143.54 12.15 Favored 'General case' 0 N--CA 1.478 0.953 1 O-C-N 134.167 6.451 . . . . 10.0 104.445 -179.886 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.713 ' HZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -174.33 139.46 0.6 Allowed 'General case' 0 C--O 1.221 -0.422 0 O-C-N 128.464 3.603 . . . . 10.0 117.675 -178.819 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' HG2' HG23 ' A' ' 40' ' ' THR . 7.2 mt-10 -109.02 119.8 40.62 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-N 112.573 -2.103 . . . . 10.0 109.242 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.547 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 34.1 mtp -46.52 148.84 0.88 Allowed 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 127.411 2.945 . . . . 10.0 108.944 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -109.76 -66.18 1.09 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 127.454 3.502 . . . . 10.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.64 177.72 10.37 Favored 'General case' 0 C--O 1.218 -0.566 1 CA-C-N 107.876 -4.238 . . . . 10.0 110.852 179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.486 ' HB3' ' NE2' ' A' ' 129' ' ' GLN . 0.5 OUTLIER -164.95 127.82 2.27 Favored 'General case' 0 C--O 1.2 -1.513 1 CA-C-N 107.265 -4.516 . . . . 10.0 112.657 179.841 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -76.59 -161.57 0.2 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 128.52 3.638 . . . . 10.0 106.719 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 18.4 49.5 0.0 OUTLIER 'General case' 0 C--O 1.196 -1.744 0 O-C-N 126.178 2.174 . . . . 10.0 113.797 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.788 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -47.12 -32.17 4.03 Favored 'General case' 0 C--O 1.2 -1.528 0 CA-C-N 111.611 -2.541 . . . . 10.0 108.735 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.281 36.0 mt-10 -75.56 -36.14 60.47 Favored 'General case' 0 N--CA 1.429 -1.492 0 CA-C-N 112.06 -2.336 . . . . 10.0 114.258 179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -75.21 -22.22 76.58 Favored Glycine 0 CA--C 1.477 -2.322 0 C-N-CA 116.614 -2.708 . . . . 10.0 112.534 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.764 ' OH ' H193 ' A' ' 135' ' ' RTL . 10.3 t80 -78.95 -37.18 40.28 Favored 'General case' 0 C--O 1.217 -0.606 0 C-N-CA 117.382 -1.727 . . . . 10.0 109.129 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.42 ' HG3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -66.6 -20.26 65.96 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 111.533 -2.576 . . . . 10.0 113.927 -179.636 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' N ' ' HG3' ' A' ' 21' ' ' MET . 15.2 tttt -76.81 -33.64 57.97 Favored 'General case' 0 C--N 1.312 -1.061 1 O-C-N 133.471 6.732 . . . . 10.0 113.425 179.75 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -79.83 -33.75 40.01 Favored 'General case' 0 C--O 1.209 -1.069 1 O-C-N 131.639 5.587 . . . . 10.0 113.009 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.546 HD23 HD12 ' A' ' 26' ' ' ILE . 15.6 tp -89.86 -28.28 19.36 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 109.29 -3.595 . . . . 10.0 109.333 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 21' ' ' MET . 1.5 p-10 39.89 51.24 2.48 Favored 'General case' 0 CA--C 1.485 -1.52 0 CA-C-O 124.348 2.023 . . . . 10.0 113.725 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.546 HD12 HD23 ' A' ' 24' ' ' LEU . 1.8 mt -71.4 -63.16 1.04 Allowed 'Isoleucine or valine' 0 C--O 1.209 -1.079 0 CA-C-O 124.463 2.078 . . . . 10.0 107.817 -179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.441 ' N ' HG22 ' A' ' 26' ' ' ILE . 10.8 t70 173.56 166.22 0.17 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 110.623 -2.989 . . . . 10.0 108.889 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -55.35 -20.37 11.53 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 116.805 2.15 . . . . 10.0 116.805 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.682 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -67.9 -42.22 81.47 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 126.043 1.737 . . . . 10.0 112.127 179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.411 ' OG1' HG21 ' A' ' 26' ' ' ILE . 1.2 m -48.01 -51.35 24.32 Favored 'General case' 0 C--O 1.21 -1.023 0 N-CA-C 117.521 2.415 . . . . 10.0 117.521 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -70.78 -41.53 71.57 Favored 'General case' 0 CA--C 1.496 -1.132 0 O-C-N 127.671 3.107 . . . . 10.0 111.617 179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 2.3 tttt -79.18 -22.59 44.74 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 108.296 -1.002 . . . . 10.0 108.296 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.682 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.7 OUTLIER -79.9 -45.02 23.04 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 0 O-C-N 126.81 2.568 . . . . 10.0 109.744 179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -72.71 -22.81 60.83 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-N 111.37 -2.65 . . . . 10.0 113.724 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.788 HG22 ' CD2' ' A' ' 17' ' ' PHE . 1.4 t -53.12 -53.74 20.95 Favored 'Isoleucine or valine' 0 C--N 1.348 0.54 0 CA-C-N 111.218 -2.719 . . . . 10.0 115.648 -179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.553 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -95.82 -11.68 26.47 Favored 'General case' 0 CA--C 1.51 -0.584 0 CA-C-N 110.185 -3.189 . . . . 10.0 115.153 -179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.516 HD13 ' HB3' ' A' ' 39' ' ' GLN . 0.0 OUTLIER -62.62 148.61 45.74 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 127.312 2.882 . . . . 10.0 107.674 -179.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.7 45.0 2.6 Favored 'General case' 0 C--N 1.314 -0.969 0 O-C-N 128.194 3.434 . . . . 10.0 111.149 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.561 ' HB3' ' HA ' ' A' ' 56' ' ' SER . 0.0 OUTLIER -59.91 167.01 2.39 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-O 116.565 -1.684 . . . . 10.0 114.454 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.537 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.5 m -107.2 160.45 15.58 Favored 'General case' 0 C--O 1.21 -0.995 1 O-C-N 133.558 6.787 . . . . 10.0 112.9 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.442 ' HD2' ' H14' ' A' ' 135' ' ' RTL . 5.6 ttpt -178.62 150.86 0.54 Allowed 'General case' 0 CA--C 1.511 -0.534 0 O-C-N 126.969 2.668 . . . . 10.0 107.413 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.769 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.1 OUTLIER -149.57 126.45 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 O-C-N 128.212 3.445 . . . . 10.0 111.305 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.713 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.373 32.6 mt -93.66 164.99 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.243 0 CA-C-N 109.584 -3.462 . . . . 10.0 109.801 -179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.538 ' HA ' ' HA ' ' A' ' 6' ' ' ASN . 0.5 OUTLIER -170.15 134.04 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.201 -1.476 0 O-C-N 127.381 2.926 . . . . 10.0 110.427 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.429 ' HB3' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -147.66 169.15 20.28 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-O 126.043 2.83 . . . . 10.0 117.715 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.45 -45.5 1.5 Allowed 'General case' 0 C--N 1.363 1.154 1 CA-C-N 105.331 -5.395 . . . . 10.0 115.893 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -155.59 -45.82 0.02 OUTLIER Glycine 0 CA--C 1.491 -1.424 0 CA-C-O 122.943 1.302 . . . . 10.0 115.796 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -171.93 50.98 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.741 0 CA-C-N 112.139 -2.031 . . . . 10.0 114.855 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p30 -172.47 73.51 0.04 OUTLIER 'General case' 0 N--CA 1.44 -0.967 0 O-C-N 126.106 2.129 . . . . 10.0 111.686 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.502 ' CZ ' ' HB3' ' A' ' 65' ' ' PHE . 19.2 p90 -91.95 162.1 14.54 Favored 'General case' 0 CA--C 1.504 -0.812 0 O-C-N 128.28 3.488 . . . . 10.0 117.521 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -147.18 130.83 16.88 Favored 'General case' 0 C--O 1.193 -1.877 0 O-C-N 125.872 1.983 . . . . 10.0 113.96 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.584 HG23 ' CB ' ' A' ' 63' ' ' LEU 0.272 0.1 OUTLIER -139.32 135.55 33.9 Favored 'General case' 0 CA--C 1.489 -1.388 0 CA-C-N 108.95 -3.75 . . . . 10.0 111.844 179.961 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.58 140.27 38.93 Favored 'General case' 0 CA--C 1.507 -0.706 0 C-N-CA 117.899 -1.52 . . . . 10.0 107.203 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -80.97 152.19 28.12 Favored 'General case' 0 CA--C 1.494 -1.206 0 O-C-N 128.527 3.642 . . . . 10.0 114.078 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.69 63.14 1.53 Allowed 'General case' 0 C--O 1.208 -1.106 0 CA-C-N 113.73 -1.577 . . . . 10.0 110.349 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' ' HB3' ' A' ' 39' ' ' GLN . 0.3 OUTLIER -69.06 -77.95 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 O-C-N 128.788 3.805 . . . . 10.0 109.639 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.407 ' CB ' ' O ' ' A' ' 56' ' ' SER . 2.7 m 139.87 -40.9 0.01 OUTLIER 'General case' 0 C--O 1.213 -0.843 1 O-C-N 132.251 5.969 . . . . 10.0 103.616 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -63.56 -66.77 0.5 Allowed 'General case' 0 C--N 1.362 1.144 0 O-C-N 127.87 3.231 . . . . 10.0 111.9 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.509 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 28.6 mmt180 -142.6 124.47 15.16 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 112.874 -1.967 . . . . 10.0 109.726 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -90.73 143.76 26.41 Favored 'General case' 0 C--O 1.204 -1.301 0 O-C-N 128.451 3.594 . . . . 10.0 110.254 179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -153.13 153.14 32.19 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 109.546 -3.479 . . . . 10.0 112.0 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -122.67 137.71 54.82 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 126.174 2.171 . . . . 10.0 112.398 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.584 ' CB ' HG23 ' A' ' 52' ' ' THR . 0.6 OUTLIER -104.06 28.59 6.61 Favored 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 126.554 2.409 . . . . 10.0 114.417 -179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.33 114.88 1.12 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 126.181 2.175 . . . . 10.0 107.138 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.502 ' HB3' ' CZ ' ' A' ' 50' ' ' PHE . 6.4 t80 -159.82 152.91 21.86 Favored 'General case' 0 CA--C 1.483 -1.621 1 CA-C-O 128.846 4.165 . . . . 10.0 110.892 -179.439 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.428 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.6 OUTLIER -93.48 172.28 8.37 Favored 'General case' 0 C--O 1.208 -1.093 0 O-C-N 118.768 -2.458 . . . . 10.0 108.156 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.3 t -95.0 112.29 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.173 0 O-C-N 128.568 3.668 . . . . 10.0 114.472 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.11 -10.98 31.48 Favored Glycine 0 C--N 1.348 1.23 0 C-N-CA 117.008 -2.52 . . . . 10.0 116.466 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 37.6 t -100.28 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 N-CA-C 106.592 -1.633 . . . . 10.0 106.592 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -46.56 151.92 0.51 Allowed 'General case' 0 C--O 1.221 -0.43 1 O-C-N 130.369 4.793 . . . . 10.0 111.873 -179.872 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -168.45 102.47 0.42 Allowed 'General case' 0 CA--C 1.501 -0.906 0 O-C-N 127.836 3.21 . . . . 10.0 116.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -55.87 138.6 48.09 Favored 'General case' 0 CA--C 1.482 -1.669 0 CA-C-O 123.374 1.559 . . . . 10.0 110.648 179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -127.24 -168.37 1.87 Allowed 'General case' 0 N--CA 1.48 1.06 0 CA-C-O 125.22 2.438 . . . . 10.0 106.998 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -143.33 123.52 13.74 Favored 'General case' 0 C--O 1.206 -1.187 0 CA-C-N 110.307 -3.133 . . . . 10.0 111.907 -179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.25 24.06 7.63 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 112.27 -2.241 . . . . 10.0 111.678 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.9 mtpt -60.7 91.73 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 126.547 3.07 . . . . 10.0 113.82 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 144.48 -33.53 1.67 Allowed Glycine 0 C--N 1.347 1.156 1 CA-C-N 108.225 -4.079 . . . . 10.0 112.202 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 mp -94.99 18.58 11.75 Favored 'General case' 0 CA--C 1.506 -0.716 2 O-C-N 131.858 5.093 . . . . 10.0 112.48 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.502 ' HB2' HG13 ' A' ' 26' ' ' ILE . 1.8 m-20 52.65 58.95 4.84 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-O 125.7 2.667 . . . . 10.0 112.976 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -128.98 -62.46 0.11 Allowed Glycine 0 C--O 1.205 -1.666 0 CA-C-N 111.411 -2.631 . . . . 10.0 111.535 179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 57.13 15.38 2.42 Favored 'General case' 0 CA--C 1.493 -1.233 0 CA-C-N 111.377 -2.412 . . . . 10.0 115.83 179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.2 t30 172.5 103.12 0.01 OUTLIER 'General case' 0 C--O 1.205 -1.246 0 CA-C-N 121.148 1.795 . . . . 10.0 113.68 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.467 HG11 ' NZ ' ' A' ' 102' ' ' LYS . 0.8 OUTLIER -146.17 138.57 20.0 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.971 0 O-C-N 126.747 2.529 . . . . 10.0 117.095 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.91 120.76 41.69 Favored 'General case' 0 CA--C 1.501 -0.935 1 O-C-N 130.103 4.627 . . . . 10.0 108.941 -179.766 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.451 HG22 ' CE2' ' A' ' 65' ' ' PHE . 5.4 m -100.84 137.32 39.38 Favored 'General case' 0 C--O 1.196 -1.739 0 CA-C-N 112.271 -2.241 . . . . 10.0 116.34 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.2 tt -151.02 115.46 5.12 Favored 'General case' 0 C--N 1.351 0.671 0 O-C-N 127.717 3.136 . . . . 10.0 112.511 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.495 HG23 ' SG ' ' A' ' 96' ' ' CYS . 4.3 t -109.79 152.15 11.88 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.496 0 CA-C-N 113.434 -1.712 . . . . 10.0 112.37 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.425 HG23 ' C ' ' A' ' 87' ' ' VAL . 22.1 p -156.44 110.56 2.75 Favored 'General case' 0 CA--C 1.499 -0.986 0 CA-C-N 113.037 -1.892 . . . . 10.0 111.947 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.492 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 30.6 m95 -49.89 148.61 3.07 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-O 114.001 -2.904 . . . . 10.0 106.514 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.16 21.26 12.38 Favored 'General case' 0 C--O 1.199 -1.593 2 CA-C-O 131.004 5.192 . . . . 10.0 117.356 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.53 -5.52 58.68 Favored Glycine 0 C--O 1.201 -1.921 1 CA-C-N 108.216 -4.084 . . . . 10.0 107.448 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' CA ' ' HE2' ' A' ' 3' ' ' LYS . 14.1 p-10 165.28 64.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.771 0 O-C-N 129.923 3.955 . . . . 10.0 106.443 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.564 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -175.45 -159.31 0.07 Allowed 'General case' 0 C--O 1.209 -1.05 0 CA-C-O 115.579 -2.153 . . . . 10.0 113.312 -179.718 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' H ' ' HB ' ' A' ' 93' ' ' THR . 0.5 OUTLIER 176.86 62.82 0.01 OUTLIER 'General case' 0 CA--C 1.479 -1.781 0 O-C-N 128.347 3.529 . . . . 10.0 112.217 -179.705 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 78.0 t -55.83 105.27 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.493 -1.235 0 CA-C-N 109.34 -3.573 . . . . 10.0 115.352 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.495 ' SG ' HG23 ' A' ' 87' ' ' VAL . 3.4 t -98.4 137.95 36.34 Favored 'General case' 0 C--N 1.352 0.709 0 O-C-N 126.081 2.113 . . . . 10.0 105.506 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.89 101.96 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.314 -0.969 1 CA-C-O 129.314 4.388 . . . . 10.0 112.261 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.417 HE22 ' NH2' ' A' ' 105' ' ' ARG . 6.1 mt-30 -71.5 161.01 31.71 Favored 'General case' 0 C--N 1.356 0.863 0 CA-C-N 111.093 -2.776 . . . . 10.0 109.751 179.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 7.4 mmtt -151.03 163.37 38.92 Favored 'General case' 0 CA--C 1.494 -1.192 0 CA-C-N 110.854 -2.885 . . . . 10.0 108.134 -179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 92.91 68.62 1.11 Allowed Glycine 0 C--O 1.202 -1.892 0 C-N-CA 118.584 -1.769 . . . . 10.0 111.287 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 95.55 -18.78 0.07 Allowed 'General case' 0 N--CA 1.444 -0.744 1 CA-C-N 107.767 -4.217 . . . . 10.0 111.148 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.467 ' NZ ' HG11 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -116.68 8.06 13.69 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 115.621 1.711 . . . . 10.0 115.621 179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.435 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 6.9 pt-20 -27.36 86.28 0.0 OUTLIER 'General case' 0 C--O 1.204 -1.303 0 CA-C-N 108.407 -3.997 . . . . 10.0 115.192 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 115.0 53.85 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 2 O-C-N 134.135 7.147 . . . . 10.0 108.761 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 122' ' ' CYS . 11.8 ttt180 -121.81 92.4 3.73 Favored 'General case' 0 C--N 1.311 -1.071 0 O-C-N 128.126 3.391 . . . . 10.0 110.075 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -136.52 159.61 24.52 Favored Glycine 0 C--O 1.212 -1.253 1 CA-C-N 108.251 -4.068 . . . . 10.0 116.787 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.674 ' CD2' H201 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -116.28 129.4 56.26 Favored 'General case' 0 C--O 1.203 -1.368 0 O-C-N 128.387 3.051 . . . . 10.0 113.708 -179.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.539 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 15.0 mttt -109.65 74.58 0.9 Allowed 'General case' 0 C--O 1.212 -0.908 0 O-C-N 126.967 2.667 . . . . 10.0 112.666 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.489 ' CG ' ' CD1' ' A' ' 116' ' ' LEU . 10.9 tt0 -97.53 127.3 43.38 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 110.78 -2.918 . . . . 10.0 105.965 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.571 ' CH2' ' HB2' ' A' ' 117' ' ' TYR . 13.5 p90 -124.6 10.72 8.48 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 116.856 2.169 . . . . 10.0 116.856 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.402 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.1 t 44.68 107.47 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.416 0 N-CA-C 119.907 3.299 . . . . 10.0 119.907 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -101.33 -27.26 13.27 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 108.768 -3.833 . . . . 10.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 91.13 98.83 1.23 Allowed Glycine 0 C--O 1.216 -0.984 0 O-C-N 121.063 -1.023 . . . . 10.0 113.698 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.97 21.25 3.29 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 127.866 2.466 . . . . 10.0 116.466 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 165.81 79.52 0.0 OUTLIER 'General case' 0 CA--C 1.51 -0.595 0 O-C-N 128.928 3.892 . . . . 10.0 109.334 -179.72 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.489 ' CD1' ' CG ' ' A' ' 109' ' ' GLN . 0.6 OUTLIER -105.91 170.99 7.58 Favored 'General case' 0 CA--C 1.506 -0.731 1 O-C-N 129.349 4.156 . . . . 10.0 110.875 179.823 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.571 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 1.6 m-85 -124.15 140.16 53.23 Favored 'General case' 0 C--O 1.209 -1.052 1 O-C-N 129.508 4.255 . . . . 10.0 109.552 179.638 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.601 HD11 ' CB ' ' A' ' 107' ' ' TRP . 13.0 tp -125.57 128.67 48.3 Favored 'General case' 0 CA--C 1.495 -1.158 0 CA-C-N 109.818 -3.356 . . . . 10.0 108.441 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 5.3 mt-10 -110.22 120.75 43.43 Favored 'General case' 0 CA--C 1.511 -0.533 0 O-C-N 124.812 1.32 . . . . 10.0 108.44 -179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.615 HD23 ' HB2' ' A' ' 129' ' ' GLN . 2.1 mm? -103.02 134.94 45.63 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 128.044 3.34 . . . . 10.0 107.808 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 12.5 p -114.47 -1.16 13.52 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 129.041 3.963 . . . . 10.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 105' ' ' ARG . 2.0 p -31.58 89.66 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.087 0 O-C-N 126.48 2.363 . . . . 10.0 115.147 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 116.98 -140.94 16.32 Favored Glycine 0 N--CA 1.437 -1.294 0 CA-C-N 112.72 -2.036 . . . . 10.0 111.543 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -102.53 -5.19 24.24 Favored 'General case' 0 CA--C 1.497 -1.07 0 CA-C-N 111.472 -2.364 . . . . 10.0 109.499 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -119.32 172.95 7.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 127.628 3.08 . . . . 10.0 106.713 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 45.3 t -121.86 129.44 75.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.109 0 N-CA-C 118.641 2.83 . . . . 10.0 118.641 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -118.85 143.9 46.69 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 114.645 -2.598 . . . . 10.0 105.198 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -93.34 96.9 10.24 Favored 'General case' 0 CA--C 1.489 -1.373 0 O-C-N 128.283 3.49 . . . . 10.0 112.479 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.615 ' HB2' HD23 ' A' ' 120' ' ' LEU . 0.4 OUTLIER -64.48 165.7 9.51 Favored 'General case' 0 CA--C 1.488 -1.426 0 C-N-CA 114.132 -3.027 . . . . 10.0 111.807 179.493 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 3.8 t -149.56 148.2 15.76 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.402 0 N-CA-C 103.763 -2.68 . . . . 10.0 103.763 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.547 ' CZ ' ' CG ' ' A' ' 11' ' ' MET 0.306 13.5 m-85 -156.55 179.64 9.07 Favored 'General case' 0 CA--C 1.503 -0.853 2 O-C-N 130.57 4.918 . . . . 10.0 111.644 179.925 . . . . . . . . 4 3 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.82 -167.4 1.09 Allowed 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 113.36 -3.21 . . . . 10.0 105.467 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.482 ' HD2' ' HA ' ' A' ' 9' ' ' TRP . 0.6 OUTLIER 86.49 -153.96 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.839 1 O-C-N 130.518 4.887 . . . . 10.0 118.449 179.774 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.702 0 CA-C-O 116.276 -1.821 . . . . 10.0 114.887 -179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.764 H193 ' OH ' ' A' ' 20' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.508 2.436 0 CA-C-O 126.254 2.93 . . . . 10.0 108.65 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 m -104.76 -55.93 2.26 Favored 'General case' 0 C--O 1.202 -1.412 0 CA-C-N 111.611 -2.54 . . . . 10.0 106.053 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -95.35 163.19 13.36 Favored 'General case' 0 C--N 1.365 1.278 0 CA-C-N 111.72 -2.491 . . . . 10.0 114.458 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 179.25 129.09 0.07 Allowed 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 104.069 -2.567 . . . . 10.0 104.069 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -89.58 -67.32 0.85 Allowed 'General case' 0 C--N 1.309 -1.155 0 N-CA-C 104.696 -2.335 . . . . 10.0 104.696 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -21.88 102.08 0.02 OUTLIER 'General case' 0 C--O 1.213 -0.847 0 O-C-N 128.397 3.56 . . . . 10.0 116.055 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 -137.19 2.5 Favored Glycine 0 C--O 1.211 -1.329 0 C-N-CA 117.977 -2.058 . . . . 10.0 112.279 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.591 ' OG1' HD12 ' A' ' 42' ' ' ILE . 24.1 m -172.53 154.26 3.07 Favored 'General case' 0 N--CA 1.48 1.03 1 O-C-N 131.708 5.005 . . . . 10.0 104.832 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.751 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.261 0.0 OUTLIER -169.78 84.06 0.12 Allowed 'General case' 0 N--CA 1.483 1.184 0 O-C-N 126.972 2.67 . . . . 10.0 116.256 -179.473 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.915 ' HG2' HG23 ' A' ' 40' ' ' THR . 3.8 mt-10 -58.08 102.64 0.11 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 108.443 -0.947 . . . . 10.0 108.443 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.48 ' O ' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -53.16 141.64 22.67 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 112.024 -2.353 . . . . 10.0 105.821 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -106.93 -54.29 2.49 Favored 'General case' 0 C--N 1.328 -0.36 1 O-C-N 131.455 5.472 . . . . 10.0 107.6 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 m -150.6 173.47 14.08 Favored 'General case' 0 N--CA 1.43 -1.442 0 CA-C-O 126.487 3.041 . . . . 10.0 113.642 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.436 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -144.72 94.45 2.55 Favored 'General case' 0 C--O 1.202 -1.438 1 CA-C-N 107.965 -4.198 . . . . 10.0 109.483 179.401 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.19 173.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 128.929 3.893 . . . . 10.0 109.341 -179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.8 m120 72.86 -63.25 0.44 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 113.624 -1.625 . . . . 10.0 107.916 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.731 ' CD1' HG22 ' A' ' 35' ' ' VAL . 79.3 m-85 78.27 -51.58 0.49 Allowed 'General case' 0 C--O 1.217 -0.651 0 O-C-N 128.511 3.632 . . . . 10.0 112.529 179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -63.14 -54.15 42.23 Favored 'General case' 0 N--CA 1.434 -1.231 0 N-CA-C 118.015 2.598 . . . . 10.0 118.015 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.65 -21.91 76.52 Favored Glycine 0 N--CA 1.478 1.483 0 O-C-N 127.303 2.877 . . . . 10.0 111.846 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.2 t80 -65.12 -46.61 80.28 Favored 'General case' 0 N--CA 1.479 0.976 1 CA-C-O 130.515 4.96 . . . . 10.0 108.525 179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.413 ' HB2' ' CB ' ' A' ' 31' ' ' ARG . 1.0 OUTLIER -69.27 -32.99 72.54 Favored 'General case' 0 CA--C 1.485 -1.522 0 CA-C-N 108.694 -3.866 . . . . 10.0 112.74 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.51 -25.56 67.52 Favored 'General case' 0 C--O 1.21 -1.012 0 N-CA-C 116.571 2.063 . . . . 10.0 116.571 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.651 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -59.12 -23.91 62.54 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 126.586 2.429 . . . . 10.0 114.979 179.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD23 ' HB3' ' A' ' 23' ' ' ALA 0.264 0.4 OUTLIER -160.13 76.93 0.63 Allowed 'General case' 0 N--CA 1.469 0.513 2 CA-C-N 107.404 -4.453 . . . . 10.0 105.362 -179.892 . . . . . . . . 5 4 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 83.72 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.384 0 CA-C-O 126.916 3.246 . . . . 10.0 113.41 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.465 HG23 HD12 ' A' ' 26' ' ' ILE . 25.8 mm -70.68 -61.84 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.525 0 CA-C-O 127.985 3.755 . . . . 10.0 107.377 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -178.28 178.91 0.84 Allowed 'General case' 0 C--N 1.364 1.208 0 CA-C-N 109.328 -3.578 . . . . 10.0 111.17 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -75.52 -26.98 58.53 Favored 'General case' 0 CA--C 1.496 -1.115 0 CA-C-O 121.704 0.764 . . . . 10.0 111.817 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.34 -31.51 70.97 Favored 'General case' 0 CA--C 1.502 -0.884 0 C-N-CA 123.641 0.776 . . . . 10.0 110.909 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.419 HG22 ' H41' ' A' ' 135' ' ' RTL . 2.8 m -54.54 -51.36 65.43 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 117.1 2.259 . . . . 10.0 117.1 -179.634 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -78.51 -29.42 46.58 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 128.526 3.641 . . . . 10.0 110.729 -179.887 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.2 tttt -77.5 -28.85 52.25 Favored 'General case' 0 CA--C 1.484 -1.577 0 O-C-N 125.065 1.478 . . . . 10.0 111.543 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.848 HD13 ' CD1' ' A' ' 58' ' ' PHE . 27.9 mt -79.46 -35.88 17.28 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.314 0 CA-C-O 125.473 2.558 . . . . 10.0 108.921 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.49 -32.96 68.82 Favored 'General case' 0 C--O 1.214 -0.764 0 CA-C-O 126.258 2.932 . . . . 10.0 109.197 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.731 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.1 t -51.04 -36.64 16.2 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.598 0 CA-C-N 108.742 -3.845 . . . . 10.0 115.694 179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.487 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -124.03 -24.16 4.45 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 126.648 2.467 . . . . 10.0 115.788 -179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.769 HD23 ' CG2' ' A' ' 33' ' ' ILE . 0.2 OUTLIER -89.36 118.53 29.09 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 127.624 3.077 . . . . 10.0 110.648 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 11' ' ' MET . 1.7 p -60.51 125.28 23.11 Favored 'General case' 0 C--O 1.243 0.752 0 CA-C-N 110.977 -2.829 . . . . 10.0 110.836 179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.42 84.56 1.96 Allowed 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 116.931 2.197 . . . . 10.0 116.931 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.915 HG23 ' HG2' ' A' ' 10' ' ' GLU . 1.7 m -41.04 145.54 0.21 Allowed 'General case' 0 C--O 1.198 -1.608 1 O-C-N 131.522 5.514 . . . . 10.0 110.27 179.797 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.4 ttpt -154.78 170.96 20.39 Favored 'General case' 0 N--CA 1.491 1.577 1 O-C-N 130.78 5.05 . . . . 10.0 109.076 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.591 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -177.78 110.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 C-N-CA 117.343 -1.743 . . . . 10.0 110.557 -179.456 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.751 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.32 64.2 mt -86.48 170.29 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.502 -0.881 0 O-C-N 128.711 3.757 . . . . 10.0 109.623 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.544 ' N ' HG22 ' A' ' 43' ' ' ILE . 0.8 OUTLIER -175.85 126.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.198 -1.622 0 O-C-N 128.939 3.899 . . . . 10.0 109.523 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.405 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 11.1 pt20 -147.7 173.1 13.09 Favored 'General case' 0 CA--C 1.488 -1.417 0 CA-C-O 127.242 3.401 . . . . 10.0 118.869 -179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -140.8 40.95 1.84 Allowed 'General case' 0 CA--C 1.496 -1.108 1 CA-C-N 106.476 -4.875 . . . . 10.0 114.457 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 119.41 -28.9 6.34 Favored Glycine 0 CA--C 1.5 -0.854 0 N-CA-C 117.522 1.769 . . . . 10.0 117.522 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.577 ' HB2' HG23 ' A' ' 66' ' ' THR . 0.0 OUTLIER -156.26 -55.68 0.09 Allowed 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 115.547 1.684 . . . . 10.0 115.547 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 49' ' ' ASN . 0.0 OUTLIER -79.4 94.15 5.48 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.127 -1.851 . . . . 10.0 114.531 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.405 ' CB ' ' HB3' ' A' ' 45' ' ' GLN . 21.2 p90 -98.48 126.93 44.21 Favored 'General case' 0 CA--C 1.493 -1.242 0 O-C-N 126.793 2.558 . . . . 10.0 112.474 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 51' ' ' LYS . 7.2 tmtm? -118.35 111.84 19.25 Favored 'General case' 0 CA--C 1.479 -1.754 0 O-C-N 127.471 2.982 . . . . 10.0 114.095 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.504 ' HB ' HG12 ' A' ' 43' ' ' ILE . 3.7 t -121.22 159.69 25.4 Favored 'General case' 0 C--N 1.349 0.564 0 CA-C-N 110.193 -3.185 . . . . 10.0 108.538 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.0 163.56 39.62 Favored 'General case' 0 CA--C 1.491 -1.32 0 O-C-N 124.654 1.221 . . . . 10.0 108.807 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.2 p -106.93 140.14 40.21 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 127.548 3.03 . . . . 10.0 109.633 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -127.5 72.89 1.41 Allowed 'General case' 0 N--CA 1.473 0.725 0 O-C-N 126.932 2.645 . . . . 10.0 112.959 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -106.85 173.03 6.5 Favored 'General case' 0 C--N 1.317 -0.838 1 O-C-N 129.162 4.039 . . . . 10.0 107.807 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.519 HG22 ' N ' ' A' ' 58' ' ' PHE . 0.8 OUTLIER -86.39 -63.21 1.35 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 108.5 -3.955 . . . . 10.0 103.353 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.848 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -39.25 -71.26 0.08 Allowed 'General case' 0 CA--C 1.515 -0.394 0 O-C-N 128.082 3.363 . . . . 10.0 115.687 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.423 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 0.0 OUTLIER -132.8 172.81 12.08 Favored 'General case' 0 CA--C 1.507 -0.707 0 C-N-CA 116.735 -1.986 . . . . 10.0 112.881 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 18.4 t30 -128.32 128.25 44.24 Favored 'General case' 0 C--O 1.204 -1.311 0 CA-C-N 108.621 -3.9 . . . . 10.0 106.861 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.539 ' OH ' HG22 ' A' ' 75' ' ' THR . 12.8 t80 -151.21 137.45 18.43 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 127.329 2.893 . . . . 10.0 111.127 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -113.61 136.58 52.67 Favored 'General case' 0 C--O 1.207 -1.158 1 O-C-N 131.036 5.21 . . . . 10.0 114.129 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.06 60.71 0.62 Allowed 'General case' 0 CA--C 1.499 -1.005 0 CA-C-O 123.984 1.85 . . . . 10.0 112.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -78.63 135.6 37.28 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 116.598 -2.041 . . . . 10.0 105.62 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -169.2 148.14 3.91 Favored 'General case' 0 CA--C 1.494 -1.191 0 O-C-N 126.285 2.241 . . . . 10.0 112.622 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.577 HG23 ' HB2' ' A' ' 48' ' ' ASP . 89.3 m -93.85 124.4 37.83 Favored 'General case' 0 C--O 1.217 -0.647 0 C-N-CA 126.652 1.981 . . . . 10.0 106.222 -179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 54.1 t -61.12 130.74 25.53 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.752 1 O-C-N 131.704 5.627 . . . . 10.0 115.448 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 67.76 5.02 36.23 Favored Glycine 0 C--N 1.36 1.869 0 CA-C-N 110.797 -2.911 . . . . 10.0 114.938 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 69' ' ' VAL . 41.5 t -127.87 82.5 0.74 Allowed 'Isoleucine or valine' 0 C--O 1.2 -1.545 0 N-CA-C 106.163 -1.791 . . . . 10.0 106.163 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.656 ' CG ' HD12 ' A' ' 86' ' ' LEU . 1.6 mp0 -38.3 148.14 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 2 O-C-N 134.115 7.134 . . . . 10.0 110.86 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -172.13 127.86 0.58 Allowed 'General case' 0 CA--C 1.507 -0.706 0 O-C-N 127.476 2.985 . . . . 10.0 113.239 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -49.56 145.02 5.27 Favored 'General case' 0 C--O 1.212 -0.905 0 CA-C-N 113.946 -1.479 . . . . 10.0 109.831 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -114.29 -59.77 1.97 Allowed 'General case' 0 CA--C 1.492 -1.274 0 CA-C-O 124.845 2.26 . . . . 10.0 113.836 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 69.47 91.28 0.09 Allowed 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 124.093 1.902 . . . . 10.0 109.042 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.738 HG21 ' CZ ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -82.12 4.3 23.7 Favored 'General case' 0 N--CA 1.433 -1.322 0 CA-C-O 114.093 -2.861 . . . . 10.0 112.817 -179.812 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 0.9 OUTLIER -10.9 -46.89 0.0 OUTLIER 'General case' 0 N--CA 1.44 -0.938 1 O-C-N 130.693 4.996 . . . . 10.0 117.285 179.625 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 75' ' ' THR . . . -45.35 -56.41 6.25 Favored Glycine 0 C--O 1.21 -1.356 0 CA-C-N 113.743 -1.571 . . . . 10.0 112.587 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -68.95 -76.28 0.1 Allowed 'General case' 0 C--O 1.24 0.586 1 O-C-N 131.559 4.917 . . . . 10.0 114.484 179.682 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' HB2' HD13 ' A' ' 26' ' ' ILE . 0.0 OUTLIER -124.96 -48.43 1.76 Allowed 'General case' 0 CA--C 1.506 -0.745 0 CA-C-O 123.176 1.465 . . . . 10.0 113.604 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 116.46 105.58 2.44 Favored Glycine 0 C--O 1.215 -1.091 0 C-N-CA 127.416 2.436 . . . . 10.0 112.801 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.738 ' CZ ' HG21 ' A' ' 75' ' ' THR . 1.1 mtm180 -130.57 128.25 40.72 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-N 111.45 -2.375 . . . . 10.0 111.163 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.65 69.8 1.88 Allowed 'General case' 0 C--O 1.201 -1.48 0 O-C-N 126.079 2.112 . . . . 10.0 108.781 179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.652 HG21 ' OE1' ' A' ' 98' ' ' GLN . 1.8 m -106.16 158.82 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.006 1 O-C-N 131.069 5.23 . . . . 10.0 117.3 -179.853 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.579 ' HE3' ' HA ' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -127.62 98.58 5.26 Favored 'General case' 0 N--CA 1.45 -0.468 1 O-C-N 129.891 4.494 . . . . 10.0 109.093 179.945 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.97 126.91 30.62 Favored 'General case' 0 CA--C 1.496 -1.107 0 CA-C-N 109.311 -3.586 . . . . 10.0 115.72 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.656 HD12 ' CG ' ' A' ' 70' ' ' GLU . 3.3 tt -140.87 128.93 22.04 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 129.011 3.945 . . . . 10.0 109.683 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.567 HG22 ' HB2' ' A' ' 96' ' ' CYS . 57.9 t -123.48 148.38 27.49 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.038 0 CA-C-O 126.29 2.947 . . . . 10.0 112.673 179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -148.66 124.06 10.3 Favored 'General case' 0 CA--C 1.477 -1.844 1 CA-C-O 128.947 4.213 . . . . 10.0 108.623 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -58.69 147.72 31.89 Favored 'General case' 0 C--N 1.365 1.264 0 O-C-N 116.844 -3.66 . . . . 10.0 105.427 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -135.65 36.52 2.89 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 127.584 3.564 . . . . 10.0 112.385 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.99 -96.88 0.81 Allowed Glycine 0 C--O 1.2 -2.003 1 CA-C-N 107.384 -4.462 . . . . 10.0 104.63 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -99.48 0.15 41.91 Favored 'General case' 0 N--CA 1.433 -1.293 0 O-C-N 129.533 3.726 . . . . 10.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.539 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -111.96 166.66 11.03 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 129.149 2.979 . . . . 10.0 110.421 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -150.03 59.73 0.98 Allowed 'General case' 0 C--N 1.31 -1.114 1 O-C-N 131.95 5.781 . . . . 10.0 111.464 -179.705 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 97.3 t -52.8 113.61 0.4 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.836 0 CA-C-N 109.383 -3.553 . . . . 10.0 115.636 179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.567 ' HB2' HG22 ' A' ' 87' ' ' VAL . 50.3 t -103.72 155.89 18.23 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 103.811 -2.662 . . . . 10.0 103.811 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.547 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.1 OUTLIER -156.15 117.32 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.49 -1.338 0 O-C-N 127.231 2.832 . . . . 10.0 111.471 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.652 ' OE1' HG21 ' A' ' 83' ' ' VAL . 54.0 mt-30 -101.76 159.67 15.13 Favored 'General case' 0 N--CA 1.436 -1.128 0 O-C-N 120.26 -1.525 . . . . 10.0 114.604 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' HG12 ' A' ' 83' ' ' VAL 0.267 11.1 mmtp -121.64 -165.53 1.26 Allowed 'General case' 0 C--O 1.204 -1.339 1 O-C-N 129.951 4.532 . . . . 10.0 107.089 179.926 . . . . . . . . 4 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.62 16.07 32.6 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 118.507 -1.806 . . . . 10.0 110.673 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.51 ' HG2' ' HD3' ' A' ' 102' ' ' LYS . 7.4 pt-20 113.29 9.72 0.0 OUTLIER 'General case' 0 N--CA 1.439 -0.999 0 O-C-N 129.573 3.749 . . . . 10.0 114.415 179.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.51 ' HD3' ' HG2' ' A' ' 101' ' ' GLU . 0.0 OUTLIER -104.59 -62.34 1.34 Allowed 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 118.404 -1.319 . . . . 10.0 110.689 179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 49.44 25.84 1.47 Allowed 'General case' 0 C--O 1.212 -0.912 0 O-C-N 125.717 1.885 . . . . 10.0 113.725 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.99 25.54 0.26 Allowed 'General case' 0 C--O 1.243 0.712 0 O-C-N 127.731 3.144 . . . . 10.0 109.615 179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.561 ' CZ ' ' HB2' ' A' ' 105' ' ' ARG . 3.4 ttm-85 -109.8 95.5 5.64 Favored 'General case' 0 C--N 1.311 -1.103 0 O-C-N 126.039 2.087 . . . . 10.0 112.941 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -139.63 150.94 21.71 Favored Glycine 0 C--O 1.209 -1.418 1 CA-C-N 107.241 -4.527 . . . . 10.0 117.427 -179.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.691 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.273 0.0 OUTLIER -118.18 101.21 8.05 Favored 'General case' 0 N--CA 1.431 -1.422 0 O-C-N 129.102 3.472 . . . . 10.0 115.184 179.926 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 110' ' ' TRP . 14.4 mttt -87.53 63.1 7.46 Favored 'General case' 0 C--O 1.202 -1.409 0 O-C-N 128.108 3.38 . . . . 10.0 110.578 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.822 ' HG2' HD13 ' A' ' 118' ' ' LEU . 23.2 mt-30 -67.41 66.54 0.08 Allowed 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 108.963 -3.744 . . . . 10.0 109.991 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.539 ' HB3' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -82.38 110.98 18.01 Favored 'General case' 0 CA--C 1.479 -1.77 0 C-N-CA 113.019 -3.472 . . . . 10.0 111.311 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 89.3 t -59.28 127.81 19.13 Favored 'Isoleucine or valine' 0 CA--C 1.482 -1.659 0 CA-C-O 126.334 2.968 . . . . 10.0 118.468 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -131.83 45.12 2.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 113.354 -1.748 . . . . 10.0 110.402 179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.91 -159.32 37.69 Favored Glycine 0 C--O 1.216 -0.995 0 CA-C-N 111.065 -2.789 . . . . 10.0 110.873 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -40.94 -28.45 0.08 Allowed 'General case' 0 C--O 1.213 -0.822 0 CA-C-O 115.117 -2.373 . . . . 10.0 116.615 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.96 131.41 54.06 Favored 'General case' 0 C--N 1.326 -0.449 1 O-C-N 132.379 6.049 . . . . 10.0 109.204 179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.576 HD21 ' HE3' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -138.41 141.9 39.57 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 127.375 2.922 . . . . 10.0 110.857 179.643 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -104.12 78.71 1.54 Allowed 'General case' 0 C--O 1.201 -1.496 0 O-C-N 128.754 3.784 . . . . 10.0 114.524 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.822 HD13 ' HG2' ' A' ' 109' ' ' GLN . 17.6 tp -69.37 146.83 51.79 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 114.892 -2.723 . . . . 10.0 107.443 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.624 ' H ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -127.82 86.88 2.53 Favored 'General case' 0 CA--C 1.496 -1.099 0 O-C-N 126.543 2.402 . . . . 10.0 110.799 179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.624 HD13 ' SG ' ' A' ' 122' ' ' CYS . 6.3 mt -59.5 154.11 18.0 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 115.269 -2.572 . . . . 10.0 107.607 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 33.6 p -130.99 16.9 5.12 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-N 112.139 -2.301 . . . . 10.0 104.998 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.624 ' SG ' HD13 ' A' ' 120' ' ' LEU . 34.1 m -52.78 93.63 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 116.291 1.96 . . . . 10.0 116.291 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 105.74 -169.55 16.17 Favored Glycine 0 N--CA 1.463 0.44 0 O-C-N 126.455 2.347 . . . . 10.0 113.271 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -61.83 -38.82 89.6 Favored 'General case' 0 C--O 1.204 -1.321 0 CA-C-N 113.351 -1.424 . . . . 10.0 108.539 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -93.21 175.91 6.6 Favored 'General case' 0 C--O 1.212 -0.878 1 O-C-N 132.137 5.898 . . . . 10.0 106.679 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.422 HG13 ' O ' ' A' ' 120' ' ' LEU . 98.8 t -116.41 134.35 60.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.913 1 O-C-N 129.528 4.267 . . . . 10.0 115.593 179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 120' ' ' LEU . 0.7 OUTLIER -119.61 133.14 55.78 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 106.055 -1.831 . . . . 10.0 106.055 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -96.68 121.69 38.8 Favored 'General case' 0 CA--C 1.491 -1.32 0 C-N-CA 116.843 -1.943 . . . . 10.0 111.923 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.486 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 30.1 mm-40 -83.69 133.09 34.82 Favored 'General case' 0 N--CA 1.487 1.417 1 O-C-N 129.183 4.052 . . . . 10.0 112.718 179.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 96.5 t -112.7 98.93 7.67 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.346 0 CA-C-O 127.938 3.732 . . . . 10.0 108.094 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.455 ' CE1' ' HB3' ' A' ' 129' ' ' GLN . 6.0 m-85 -101.28 133.02 46.5 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-N 108.475 -3.966 . . . . 10.0 110.772 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.441 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.411 1.3 ttpt -153.64 143.87 22.23 Favored 'General case' 0 C--O 1.217 -0.639 0 CA-C-O 113.276 -3.25 . . . . 10.0 107.399 -179.807 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.452 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 18.9 tttt 142.3 -78.13 0.0 OUTLIER 'General case' 0 C--O 1.203 -1.35 1 O-C-N 133.974 7.046 . . . . 10.0 116.816 179.623 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.41 ' HD3' ' HE3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.48 -1.73 0 N-CA-C 117.854 2.539 . . . . 10.0 117.854 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.74 H171 ' C8 ' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.514 2.738 0 CA-C-O 123.972 1.844 . . . . 10.0 107.239 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' A' ' 3' ' ' LYS . 23.6 p -150.99 -53.44 0.14 Allowed 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 106.932 -1.507 . . . . 10.0 106.932 179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.506 ' HD2' ' CH2' ' A' ' 89' ' ' TRP . 0.8 OUTLIER -112.72 -59.19 2.05 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 128.86 3.85 . . . . 10.0 112.348 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.8 t0 40.5 63.81 1.06 Allowed 'General case' 0 C--N 1.315 -0.899 0 O-C-N 126.603 2.439 . . . . 10.0 107.868 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.408 ' NE2' HD23 ' A' ' 94' ' ' LEU . 8.7 mm-40 -53.79 -74.94 0.03 OUTLIER 'General case' 0 C--O 1.243 0.744 0 CA-C-O 114.869 -2.491 . . . . 10.0 109.645 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -12.96 76.77 0.0 OUTLIER 'General case' 0 N--CA 1.451 -0.418 1 O-C-N 130.292 4.745 . . . . 10.0 111.854 -179.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.12 176.85 24.85 Favored Glycine 0 C--O 1.213 -1.201 0 C-N-CA 115.785 -3.102 . . . . 10.0 110.96 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.584 ' OG1' HD12 ' A' ' 42' ' ' ILE . 12.0 m -116.39 152.85 33.12 Favored 'General case' 0 C--O 1.211 -0.955 1 O-C-N 133.425 6.015 . . . . 10.0 103.799 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.779 ' HZ2' HD12 ' A' ' 43' ' ' ILE 0.275 0.0 OUTLIER -163.93 82.54 0.43 Allowed 'General case' 0 N--CA 1.481 1.111 0 O-C-N 127.285 2.865 . . . . 10.0 115.829 -178.806 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -52.28 105.24 0.11 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 127.444 2.965 . . . . 10.0 106.528 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG3' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -51.38 148.31 5.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 114.215 -2.802 . . . . 10.0 107.123 -178.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.498 ' HB3' HG12 ' A' ' 130' ' ' VAL . 4.9 tt0 -99.4 -44.73 6.09 Favored 'General case' 0 C--N 1.322 -0.615 1 O-C-N 132.882 6.364 . . . . 10.0 108.319 179.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 130' ' ' VAL 0.33 2.4 p -173.67 -176.58 1.28 Allowed 'General case' 0 N--CA 1.437 -1.083 0 CA-C-O 126.783 3.182 . . . . 10.0 113.054 179.864 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -141.52 142.81 33.56 Favored 'General case' 0 C--O 1.206 -1.185 0 CA-C-N 108.614 -3.903 . . . . 10.0 110.489 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.452 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 11.8 mm-40 -81.07 -67.29 0.79 Allowed 'General case' 0 N--CA 1.487 1.416 1 O-C-N 130.705 5.003 . . . . 10.0 109.698 -179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.493 ' ND2' ' HA ' ' A' ' 127' ' ' CYS . 2.0 m-20 -120.97 113.87 20.72 Favored 'General case' 0 C--O 1.212 -0.876 0 N-CA-C 112.412 0.523 . . . . 10.0 112.412 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.99 0.83 44.69 Favored 'General case' 0 C--O 1.203 -1.371 1 CA-C-O 128.543 4.02 . . . . 10.0 108.789 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.2 -41.4 49.65 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 111.427 -2.624 . . . . 10.0 112.073 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.89 -21.67 70.78 Favored Glycine 0 CA--C 1.496 -1.102 0 O-C-N 128.981 3.926 . . . . 10.0 106.896 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.665 ' OH ' H193 ' A' ' 135' ' ' RTL . 38.4 t80 -74.58 -25.63 59.4 Favored 'General case' 0 C--O 1.21 -0.994 0 CA-C-O 125.022 2.344 . . . . 10.0 109.381 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.41 ' HG3' ' HB3' ' A' ' 31' ' ' ARG . 3.0 ttp -69.62 -28.52 65.99 Favored 'General case' 0 CA--C 1.496 -1.119 0 CA-C-N 113.361 -1.745 . . . . 10.0 112.345 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp -77.37 -32.92 55.26 Favored 'General case' 0 C--O 1.199 -1.558 1 O-C-N 132.56 6.163 . . . . 10.0 113.347 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.54 -47.35 22.94 Favored 'General case' 0 C--N 1.317 -0.827 1 O-C-N 131.689 5.618 . . . . 10.0 113.849 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.714 HD12 ' CZ ' ' A' ' 81' ' ' ARG . 17.3 tp -78.7 -28.28 45.12 Favored 'General case' 0 C--N 1.323 -0.546 2 O-C-N 129.909 4.505 . . . . 10.0 110.119 -179.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.3 t0 38.19 58.08 1.57 Allowed 'General case' 0 C--O 1.2 -1.519 1 CA-C-O 129.198 4.333 . . . . 10.0 110.399 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.618 HD13 HG21 ' A' ' 30' ' ' THR . 10.1 tt -94.36 -54.0 7.72 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 CA-C-N 110.723 -2.944 . . . . 10.0 112.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 1.6 p30 156.21 171.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 C-N-CA 125.007 1.323 . . . . 10.0 108.017 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -78.82 -26.5 44.22 Favored 'General case' 0 CA--C 1.494 -1.209 0 O-C-N 126.019 2.075 . . . . 10.0 115.071 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -68.3 -25.12 64.97 Favored 'General case' 0 C--O 1.202 -1.426 0 C-N-CA 124.883 1.273 . . . . 10.0 111.587 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.618 HG21 HD13 ' A' ' 26' ' ' ILE . 19.0 m -77.35 -47.31 20.26 Favored 'General case' 0 C--O 1.217 -0.617 0 O-C-N 127.297 2.873 . . . . 10.0 116.55 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.508 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -29.07 69.79 Favored 'General case' 0 N--CA 1.443 -0.807 1 O-C-N 132.888 6.367 . . . . 10.0 113.44 -179.875 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -73.94 -29.59 62.09 Favored 'General case' 0 CA--C 1.481 -1.685 0 O-C-N 127.059 2.724 . . . . 10.0 112.482 -179.643 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.897 HD12 ' CD1' ' A' ' 58' ' ' PHE . 2.4 mt -79.93 -40.31 20.52 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.685 0 O-C-N 126.465 2.353 . . . . 10.0 108.461 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.471 ' HB2' ' H41' ' A' ' 135' ' ' RTL . . . -71.05 -28.79 64.63 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-O 124.523 2.106 . . . . 10.0 111.733 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 31' ' ' ARG . 0.9 OUTLIER -55.47 -37.94 47.12 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 CA-C-N 112.373 -2.194 . . . . 10.0 113.917 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.485 ' HG2' ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -111.4 -32.69 6.64 Favored 'General case' 0 CA--C 1.504 -0.827 0 O-C-N 127.778 3.174 . . . . 10.0 115.278 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.544 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -50.46 110.65 0.43 Allowed 'General case' 0 N--CA 1.438 -1.05 0 CA-C-O 113.543 -3.122 . . . . 10.0 112.072 -179.253 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 11' ' ' MET . 0.0 OUTLIER -45.52 -72.4 0.06 Allowed 'General case' 0 N--CA 1.488 1.463 1 O-C-N 130.917 5.135 . . . . 10.0 107.68 177.603 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.534 ' NE2' H161 ' A' ' 135' ' ' RTL . 2.7 tt0 93.94 150.86 0.02 OUTLIER 'General case' 0 CA--C 1.492 -1.252 1 O-C-N 129.238 4.086 . . . . 10.0 112.864 177.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 41' ' ' LYS . 6.5 m -118.5 142.1 47.92 Favored 'General case' 0 C--O 1.206 -1.222 1 O-C-N 131.819 5.699 . . . . 10.0 110.99 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' NZ ' ' C15' ' A' ' 135' ' ' RTL 0.3 0.0 OUTLIER -151.74 157.86 42.58 Favored 'General case' 0 N--CA 1.491 1.598 1 O-C-N 129.419 4.199 . . . . 10.0 109.338 -179.668 . . . . . . . . 5 4 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.584 HD12 ' OG1' ' A' ' 8' ' ' THR . 0.5 OUTLIER -171.1 114.44 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.086 0 C-N-CA 114.481 -2.888 . . . . 10.0 116.502 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.779 HD12 ' HZ2' ' A' ' 9' ' ' TRP 0.262 11.0 mt -83.72 165.41 2.43 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 CA-C-N 109.258 -3.61 . . . . 10.0 108.878 -179.723 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.9 p -164.2 41.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.194 -1.817 0 CA-C-O 124.647 2.165 . . . . 10.0 113.747 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.456 ' CB ' ' HB3' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -48.96 159.15 0.27 Allowed 'General case' 0 C--O 1.21 -0.989 0 N-CA-C 116.303 1.964 . . . . 10.0 116.303 179.766 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.58 -36.26 6.0 Favored 'General case' 0 CA--C 1.503 -0.84 1 O-C-N 129.396 4.185 . . . . 10.0 112.309 179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 167.77 -30.25 0.18 Allowed Glycine 0 C--O 1.214 -1.134 0 N-CA-C 115.894 1.118 . . . . 10.0 115.894 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.419 ' O ' HG22 ' A' ' 66' ' ' THR . 8.6 t70 -150.85 41.02 0.75 Allowed 'General case' 0 N--CA 1.438 -1.073 0 O-C-N 127.557 2.563 . . . . 10.0 112.321 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.486 ' HA ' ' HA ' ' A' ' 66' ' ' THR . 4.3 p-10 167.49 120.83 0.01 OUTLIER 'General case' 0 N--CA 1.435 -1.199 0 O-C-N 128.109 3.38 . . . . 10.0 111.286 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.539 ' CE2' HG22 ' A' ' 67' ' ' VAL 0.255 6.7 p90 -110.19 159.74 17.11 Favored 'General case' 0 C--N 1.312 -1.059 1 O-C-N 129.889 4.493 . . . . 10.0 115.416 -179.943 . . . . . . . . 4 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.34 106.87 4.4 Favored 'General case' 0 CA--C 1.486 -1.484 0 O-C-N 126.517 2.386 . . . . 10.0 111.862 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.506 HG21 ' O1 ' ' A' ' 135' ' ' RTL . 1.5 t -120.51 134.17 55.31 Favored 'General case' 0 CA--C 1.494 -1.19 1 O-C-N 129.652 4.345 . . . . 10.0 114.155 -179.659 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.99 173.98 6.12 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 105.748 -1.945 . . . . 10.0 105.748 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.2 p -130.97 171.03 13.68 Favored 'General case' 0 CA--C 1.503 -0.838 0 O-C-N 126.126 2.141 . . . . 10.0 111.168 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -147.62 53.05 1.05 Allowed 'General case' 0 N--CA 1.476 0.833 0 CA-C-O 122.254 1.026 . . . . 10.0 110.475 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.809 ' CB ' H162 ' A' ' 135' ' ' RTL . 90.4 p -61.7 -38.99 89.91 Favored 'General case' 0 C--O 1.212 -0.911 0 C-N-CA 128.606 2.762 . . . . 10.0 111.818 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 58' ' ' PHE . 0.5 OUTLIER 96.31 -61.96 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.544 2 CA-C-N 107.057 -4.61 . . . . 10.0 102.093 -179.234 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.897 ' CD1' HD12 ' A' ' 33' ' ' ILE . 71.4 t80 -47.93 -53.37 16.13 Favored 'General case' 0 C--O 1.242 0.701 0 O-C-N 127.743 3.152 . . . . 10.0 114.721 179.341 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.27 108.53 4.43 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 109.743 -3.389 . . . . 10.0 115.407 -179.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.9 t30 -69.02 128.21 35.89 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 111.707 -2.497 . . . . 10.0 106.2 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.403 ' CD2' HD12 ' A' ' 78' ' ' LEU . 11.8 t80 -158.32 134.0 8.94 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-N 111.849 -2.432 . . . . 10.0 112.514 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -109.21 165.2 11.8 Favored 'General case' 0 C--O 1.206 -1.184 1 O-C-N 131.443 5.465 . . . . 10.0 113.87 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.95 31.12 4.74 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 116.286 1.958 . . . . 10.0 116.286 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.59 137.65 3.71 Favored 'General case' 0 CA--C 1.502 -0.886 0 O-C-N 126.41 2.319 . . . . 10.0 111.535 -179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.7 t80 -179.62 144.6 0.21 Allowed 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 126.201 2.905 . . . . 10.0 112.168 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 49' ' ' ASN . 0.2 OUTLIER -75.94 151.92 37.18 Favored 'General case' 0 C--O 1.211 -0.97 0 CA-C-N 111.696 -2.502 . . . . 10.0 108.379 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.539 HG22 ' CE2' ' A' ' 50' ' ' PHE . 39.3 t -85.25 107.76 16.4 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.013 0 O-C-N 126.437 2.335 . . . . 10.0 114.398 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.49 -6.71 63.69 Favored Glycine 0 N--CA 1.485 1.938 0 CA-C-N 110.529 -3.032 . . . . 10.0 115.98 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -109.28 88.46 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 105.435 -2.061 . . . . 10.0 105.435 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.68 ' HG2' HD12 ' A' ' 86' ' ' LEU . 1.0 OUTLIER -37.73 136.96 0.5 Allowed 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 108.977 -3.738 . . . . 10.0 114.73 179.765 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -139.86 108.63 5.95 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 111.609 -2.542 . . . . 10.0 117.456 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -56.08 92.5 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.34 0 O-C-N 124.669 1.23 . . . . 10.0 113.35 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.92 168.51 9.15 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 126.214 2.912 . . . . 10.0 106.729 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.4 p-80 -152.07 145.36 24.71 Favored 'General case' 0 C--O 1.208 -1.098 0 CA-C-O 123.999 1.857 . . . . 10.0 111.361 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.452 ' CB ' ' NH2' ' A' ' 81' ' ' ARG . 66.1 p -99.78 61.7 1.15 Allowed 'General case' 0 C--O 1.219 -0.527 0 CA-C-N 109.533 -3.485 . . . . 10.0 114.366 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.37 -5.67 54.14 Favored 'General case' 0 CA--C 1.497 -1.093 0 CA-C-O 127.131 3.348 . . . . 10.0 112.355 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -86.38 -8.33 77.97 Favored Glycine 0 C--O 1.21 -1.345 0 CA-C-N 110.899 -2.864 . . . . 10.0 111.212 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.446 HD21 ' H32' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -118.96 -72.78 0.67 Allowed 'General case' 0 C--N 1.353 0.718 0 O-C-N 128.074 2.867 . . . . 10.0 111.971 -179.793 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.8 -41.55 1.82 Allowed 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 114.391 -1.277 . . . . 10.0 112.928 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 105.07 90.46 2.18 Favored Glycine 0 CA--C 1.5 -0.849 0 CA-C-N 114.487 -1.233 . . . . 10.0 111.98 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.714 ' CZ ' HD12 ' A' ' 24' ' ' LEU . 26.2 mtm180 -124.93 -31.16 3.17 Favored 'General case' 0 C--N 1.359 1.009 0 O-C-N 127.477 2.516 . . . . 10.0 115.044 -179.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.425 ' ND2' ' C ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER 70.6 127.8 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 125.151 1.532 . . . . 10.0 109.976 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.415 ' C ' ' CD ' ' A' ' 84' ' ' LYS . 0.7 OUTLIER -140.31 174.71 7.7 Favored 'Isoleucine or valine' 0 C--N 1.364 1.201 0 N-CA-C 115.029 1.492 . . . . 10.0 115.029 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' CD ' ' C ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -144.36 74.25 1.41 Allowed 'General case' 0 C--N 1.319 -0.756 0 O-C-N 127.948 3.28 . . . . 10.0 108.333 -179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE2' ' A' ' 65' ' ' PHE . 17.2 m -56.02 144.49 28.63 Favored 'General case' 0 C--O 1.211 -0.962 1 O-C-N 129.496 4.248 . . . . 10.0 117.285 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.68 HD12 ' HG2' ' A' ' 70' ' ' GLU . 10.3 tt -164.28 127.38 2.48 Favored 'General case' 0 N--CA 1.444 -0.77 1 O-C-N 131.293 5.37 . . . . 10.0 111.575 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.79 HG22 ' O ' ' A' ' 94' ' ' LEU . 0.3 OUTLIER -123.32 155.57 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 CA-C-N 114.512 -1.222 . . . . 10.0 108.533 179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 39.6 p -149.76 108.28 3.81 Favored 'General case' 0 CA--C 1.485 -1.543 0 CA-C-N 112.681 -2.054 . . . . 10.0 111.198 -179.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.506 ' CH2' ' HD2' ' A' ' 3' ' ' LYS . 43.2 m95 -51.58 133.78 30.11 Favored 'General case' 0 C--N 1.366 1.325 0 N-CA-C 104.873 -2.269 . . . . 10.0 104.873 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.74 -9.69 15.76 Favored 'General case' 0 CA--C 1.491 -1.318 2 O-C-N 131.123 5.264 . . . . 10.0 116.059 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.83 85.81 0.95 Allowed Glycine 0 CA--C 1.542 1.775 0 N-CA-C 104.741 -3.344 . . . . 10.0 104.741 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 71.81 33.01 1.8 Allowed 'General case' 0 C--O 1.204 -1.299 1 O-C-N 134.11 6.418 . . . . 10.0 106.981 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.778 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -130.86 -142.08 0.23 Allowed 'General case' 0 CA--C 1.514 -0.417 0 C-N-CA 128.274 2.629 . . . . 10.0 113.088 179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.79 ' O ' HG22 ' A' ' 87' ' ' VAL 0.258 1.2 pp -177.75 -42.66 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.215 0 O-C-N 127.013 2.695 . . . . 10.0 113.836 -179.863 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 54.4 t 37.66 97.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.364 1.197 0 O-C-N 127.411 2.945 . . . . 10.0 118.323 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.522 ' C ' HG22 ' A' ' 97' ' ' VAL . 0.1 OUTLIER -100.49 168.69 9.57 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 107.454 -1.313 . . . . 10.0 107.454 179.802 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.522 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -161.34 147.69 4.9 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.11 1 O-C-N 129.526 4.266 . . . . 10.0 112.762 -179.9 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -129.03 158.02 40.07 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-O 124.117 1.913 . . . . 10.0 114.778 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.2 mmtp -131.99 -155.52 0.69 Allowed 'General case' 0 CA--C 1.503 -0.847 0 CA-C-N 109.042 -3.708 . . . . 10.0 107.461 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.94 8.05 88.05 Favored Glycine 0 C--O 1.22 -0.779 0 O-C-N 124.392 1.057 . . . . 10.0 112.494 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 147.45 -31.13 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 127.513 2.537 . . . . 10.0 112.106 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.473 ' HD2' ' N ' ' A' ' 102' ' ' LYS . 0.6 OUTLIER -63.55 -82.69 0.02 OUTLIER 'General case' 0 C--O 1.206 -1.193 0 N-CA-C 116.528 2.047 . . . . 10.0 116.528 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 76.57 4.18 3.52 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 117.615 2.45 . . . . 10.0 117.615 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -175.07 41.52 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.15 0 O-C-N 128.44 3.588 . . . . 10.0 108.455 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 34.6 ttp85 -115.75 75.75 0.97 Allowed 'General case' 0 C--O 1.206 -1.228 0 O-C-N 126.569 2.418 . . . . 10.0 109.486 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.97 166.27 13.05 Favored Glycine 0 N--CA 1.442 -0.948 2 CA-C-N 106.206 -4.997 . . . . 10.0 117.588 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.739 ' HB3' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -138.9 107.06 5.74 Favored 'General case' 0 N--CA 1.44 -0.964 1 O-C-N 133.814 6.243 . . . . 10.0 116.193 -179.722 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -86.87 78.33 9.07 Favored 'General case' 0 C--O 1.2 -1.508 0 O-C-N 127.732 3.145 . . . . 10.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 1.012 ' HG2' HD13 ' A' ' 118' ' ' LEU . 62.0 mt-30 -88.38 82.87 6.92 Favored 'General case' 0 CA--C 1.498 -1.048 1 CA-C-N 108.286 -4.052 . . . . 10.0 110.703 -179.779 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.778 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -100.83 128.58 46.81 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-N 121.361 1.892 . . . . 10.0 110.625 179.692 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 73.9 t -72.29 148.84 9.3 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.252 1 CA-C-O 128.982 4.23 . . . . 10.0 118.484 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -140.88 14.76 2.29 Favored 'General case' 0 CA--C 1.481 -1.689 0 CA-C-N 110.633 -2.985 . . . . 10.0 114.074 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 70.4 106.18 0.04 OUTLIER Glycine 0 C--O 1.209 -1.442 0 CA-C-O 121.755 0.642 . . . . 10.0 113.083 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 45.83 39.73 5.7 Favored 'General case' 0 C--O 1.216 -0.697 0 N-CA-C 115.956 1.836 . . . . 10.0 115.956 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -176.82 146.94 0.57 Allowed 'General case' 0 CA--C 1.509 -0.614 1 O-C-N 130.283 4.739 . . . . 10.0 105.132 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 tt -162.79 144.92 10.46 Favored 'General case' 0 CA--C 1.477 -1.839 0 O-C-N 126.557 2.411 . . . . 10.0 114.141 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.524 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 3.8 m-85 -117.85 97.46 5.84 Favored 'General case' 0 C--O 1.202 -1.444 0 O-C-N 128.186 3.429 . . . . 10.0 114.553 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 1.012 HD13 ' HG2' ' A' ' 109' ' ' GLN . 14.5 tp -93.61 110.84 22.44 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 110.258 -3.156 . . . . 10.0 110.689 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -97.35 128.84 44.52 Favored 'General case' 0 CA--C 1.486 -1.501 0 CA-C-N 119.967 1.258 . . . . 10.0 111.501 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.441 ' HA ' HD23 ' A' ' 120' ' ' LEU . 1.0 OUTLIER -103.54 139.62 38.61 Favored 'General case' 0 N--CA 1.481 1.08 0 O-C-N 125.201 1.563 . . . . 10.0 107.528 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 61.1 p -131.4 24.56 4.81 Favored 'General case' 0 C--O 1.202 -1.426 0 CA-C-N 113.417 -1.719 . . . . 10.0 109.386 -179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -47.64 148.17 1.58 Allowed 'General case' 0 N--CA 1.488 1.437 0 O-C-N 126.056 2.098 . . . . 10.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 46.57 -137.55 8.61 Favored Glycine 0 C--N 1.338 0.641 0 CA-C-N 114.778 -1.101 . . . . 10.0 112.738 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.82 -39.05 18.81 Favored 'General case' 0 C--O 1.208 -1.127 0 C-N-CA 125.283 1.433 . . . . 10.0 110.476 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -65.66 -176.3 0.34 Allowed 'General case' 0 C--O 1.214 -0.812 1 O-C-N 129.917 4.511 . . . . 10.0 106.392 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 47.3 t -150.7 111.37 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 110.66 -2.973 . . . . 10.0 111.089 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.493 ' HA ' ' ND2' ' A' ' 16' ' ' ASN . 2.1 m -105.31 -158.01 0.64 Allowed 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 114.309 -1.314 . . . . 10.0 108.702 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 0.0 OUTLIER -163.73 110.26 1.11 Allowed 'General case' 0 CA--C 1.51 -0.577 0 O-C-N 126.61 2.444 . . . . 10.0 111.431 -179.836 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.596 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.9 OUTLIER -79.72 159.59 26.57 Favored 'General case' 0 CA--C 1.486 -1.487 0 O-C-N 126.364 2.29 . . . . 10.0 113.139 179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.498 HG12 ' HB3' ' A' ' 12' ' ' GLU . 77.8 t -145.75 117.27 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 104.415 -2.439 . . . . 10.0 104.415 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG3' ' A' ' 11' ' ' MET . 5.7 m-85 -113.32 164.47 13.53 Favored 'General case' 0 CA--C 1.491 -1.291 1 CA-C-N 108.046 -4.161 . . . . 10.0 111.132 179.544 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 177.47 179.39 0.27 Allowed 'General case' 0 C--N 1.31 -1.116 0 CA-C-O 113.184 -3.294 . . . . 10.0 106.384 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.518 ' HG2' ' HD2' ' A' ' 134' ' ' LYS . 21.3 tttt 102.69 -80.14 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.227 1 O-C-N 134.64 7.462 . . . . 10.0 117.097 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.518 ' HD2' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.102 0 O-C-N 125.463 1.727 . . . . 10.0 115.621 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.809 H162 ' CB ' ' A' ' 56' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.3 ttm . . . . . 0 N--CA 1.506 2.356 0 CA-C-O 123.904 1.811 . . . . 10.0 108.802 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 HG22 ' N ' ' A' ' 3' ' ' LYS . 0.9 OUTLIER -120.54 -46.28 2.38 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-N 113.797 -1.547 . . . . 10.0 109.274 -179.964 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.529 ' HE3' ' CH2' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -93.04 -77.41 0.45 Allowed 'General case' 0 C--N 1.352 0.695 0 O-C-N 127.286 2.866 . . . . 10.0 117.596 179.847 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 54.41 71.97 0.49 Allowed 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 107.041 -1.466 . . . . 10.0 107.041 -179.562 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 11.4 mp0 -68.99 -63.97 0.96 Allowed 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 114.27 -2.776 . . . . 10.0 106.804 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.469 ' HB3' ' HA ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -12.26 82.46 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.802 1 O-C-N 133.304 6.627 . . . . 10.0 110.881 179.833 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.33 -165.45 10.54 Favored Glycine 0 C--O 1.197 -2.196 0 CA-C-O 117.096 -1.947 . . . . 10.0 112.769 -179.581 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.547 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 4.4 m -127.14 154.46 44.73 Favored 'General case' 0 C--N 1.312 -1.049 1 O-C-N 133.277 5.928 . . . . 10.0 103.97 -179.769 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.815 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.264 0.0 OUTLIER -165.09 73.6 0.21 Allowed 'General case' 0 N--CA 1.472 0.647 0 O-C-N 126.571 2.42 . . . . 10.0 115.658 -178.963 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -60.85 102.25 0.19 Allowed 'General case' 0 C--O 1.213 -0.864 0 C-N-CA 116.376 -2.13 . . . . 10.0 108.219 179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.423 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -43.68 154.58 0.09 Allowed 'General case' 0 CA--C 1.54 0.578 0 O-C-N 128.521 3.638 . . . . 10.0 110.088 179.732 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' HG22 ' A' ' 38' ' ' THR . 13.6 tt0 -117.58 -58.37 2.04 Favored 'General case' 0 N--CA 1.439 -1.015 1 O-C-N 129.557 4.286 . . . . 10.0 112.227 179.729 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.538 ' HB2' ' CG2' ' A' ' 130' ' ' VAL . 29.0 m -157.22 176.29 12.91 Favored 'General case' 0 N--CA 1.438 -1.028 0 C-N-CA 116.622 -2.031 . . . . 10.0 113.408 -179.562 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -136.44 130.53 32.8 Favored 'General case' 0 C--O 1.196 -1.714 2 O-C-N 129.501 4.251 . . . . 10.0 110.391 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.413 ' HG3' ' HB3' ' A' ' 128' ' ' ARG . 71.3 mm-40 -73.09 -84.43 0.04 OUTLIER 'General case' 0 CA--C 1.48 -1.719 1 O-C-N 131.289 5.368 . . . . 10.0 109.387 -179.858 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -75.58 92.1 2.89 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 119.598 -1.939 . . . . 10.0 110.033 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' CD1' HG22 ' A' ' 35' ' ' VAL . 37.3 m-85 -64.21 -29.55 70.65 Favored 'General case' 0 C--O 1.202 -1.397 0 CA-C-O 127.252 3.406 . . . . 10.0 110.092 179.814 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -77.95 -29.03 49.64 Favored 'General case' 0 CA--C 1.501 -0.942 0 CA-C-N 110.857 -2.883 . . . . 10.0 118.473 -179.742 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.34 -26.69 71.41 Favored Glycine 0 N--CA 1.481 1.653 0 C-N-CA 115.016 -3.468 . . . . 10.0 111.058 -179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 15.8 t80 -76.71 -21.84 54.76 Favored 'General case' 0 C--O 1.2 -1.521 0 CA-C-O 123.988 1.851 . . . . 10.0 109.44 -179.901 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -27.05 63.92 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 112.894 -1.957 . . . . 10.0 110.02 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.01 -27.52 39.53 Favored 'General case' 0 C--O 1.208 -1.12 0 CA-C-N 110.66 -2.973 . . . . 10.0 112.877 178.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.537 ' HB2' ' O ' ' A' ' 122' ' ' CYS . . . -62.15 -22.59 65.99 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 112.805 -1.998 . . . . 10.0 112.243 179.558 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 24' ' ' LEU . 2.2 pt? 179.82 130.82 0.09 Allowed 'General case' 0 C--O 1.212 -0.912 2 O-C-N 130.338 4.774 . . . . 10.0 110.449 179.073 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 p-10 -76.08 66.25 2.22 Favored 'General case' 0 CA--C 1.494 -1.177 1 CA-C-O 129.778 4.609 . . . . 10.0 109.963 -179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.935 ' CG1' HG21 ' A' ' 30' ' ' THR . 5.4 tp -72.26 -13.46 16.61 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.091 0 CA-C-N 108.625 -3.898 . . . . 10.0 111.877 179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.405 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 36.3 t70 110.56 151.71 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 110.779 -2.919 . . . . 10.0 112.644 179.826 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 29' ' ' ALA . 0.3 OUTLIER -64.62 -23.75 67.36 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 113.179 -1.828 . . . . 10.0 115.321 179.857 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.435 ' N ' ' CD1' ' A' ' 28' ' ' PHE . . . -77.62 -21.43 52.3 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 128.116 3.385 . . . . 10.0 110.592 -179.918 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.935 HG21 ' CG1' ' A' ' 26' ' ' ILE . 85.1 m -74.6 -53.28 9.67 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 126.513 2.383 . . . . 10.0 115.411 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.5 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -61.56 -26.22 67.81 Favored 'General case' 0 CA--C 1.507 -0.695 0 C-N-CA 129.593 3.157 . . . . 10.0 112.309 -179.876 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.445 ' HD2' ' CD1' ' A' ' 33' ' ' ILE . 1.7 ttmm -72.45 -34.88 68.07 Favored 'General case' 0 CA--C 1.494 -1.176 0 O-C-N 125.827 1.954 . . . . 10.0 109.176 -179.837 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.687 ' N ' HD13 ' A' ' 33' ' ' ILE . 1.1 mm -79.78 -33.0 14.54 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.691 0 O-C-N 126.387 2.304 . . . . 10.0 107.484 -179.856 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . . . -69.31 -31.34 69.75 Favored 'General case' 0 C--O 1.203 -1.394 0 CA-C-O 127.003 3.287 . . . . 10.0 111.339 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.562 HG22 ' CD1' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -59.02 -32.93 48.77 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.093 0 CA-C-N 109.574 -3.466 . . . . 10.0 116.174 -179.575 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.37 11.15 8.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 124.059 1.885 . . . . 10.0 113.397 179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 39' ' ' GLN . 0.5 OUTLIER -70.38 128.02 34.76 Favored 'General case' 0 N--CA 1.443 -0.808 0 CA-C-N 111.922 -2.399 . . . . 10.0 111.203 -179.655 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.7 OUTLIER -116.89 42.72 2.43 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 127.51 3.006 . . . . 10.0 110.534 179.934 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.579 ' HB3' HD22 ' A' ' 37' ' ' LEU . 4.2 pt20 -57.63 152.99 14.08 Favored 'General case' 0 CA--C 1.496 -1.115 0 N-CA-C 117.636 2.458 . . . . 10.0 117.636 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.5 m -103.57 143.7 32.4 Favored 'General case' 0 C--O 1.208 -1.106 0 O-C-N 127.878 3.236 . . . . 10.0 112.252 -179.96 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -165.22 157.96 15.98 Favored 'General case' 0 N--CA 1.473 0.723 0 O-C-N 128.463 3.602 . . . . 10.0 105.563 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.515 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -157.83 118.52 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 114.511 -2.876 . . . . 10.0 112.507 -179.795 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.815 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.292 35.5 mt -82.1 174.37 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.365 1.27 0 O-C-N 128.467 3.604 . . . . 10.0 110.247 179.837 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.541 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.3 p -169.73 33.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.363 1.181 0 C-N-CA 116.801 -1.959 . . . . 10.0 110.794 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.529 ' CB ' ' CD1' ' A' ' 50' ' ' PHE . 3.8 pt20 -59.96 167.64 2.17 Favored 'General case' 0 C--O 1.205 -1.249 0 N-CA-C 120.12 3.378 . . . . 10.0 120.12 -179.512 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.6 12.04 5.33 Favored 'General case' 0 C--N 1.36 1.033 1 CA-C-N 105.919 -5.128 . . . . 10.0 111.872 179.658 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 99.03 -12.84 62.26 Favored Glycine 0 C--N 1.343 0.96 0 N-CA-C 117.293 1.677 . . . . 10.0 117.293 179.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -123.25 -15.74 7.13 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 117.268 2.322 . . . . 10.0 117.268 -179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -155.51 115.59 3.74 Favored 'General case' 0 C--O 1.22 -0.489 0 O-C-N 126.91 2.631 . . . . 10.0 110.632 -179.809 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.529 ' CD1' ' CB ' ' A' ' 45' ' ' GLN . 7.4 m-30 -89.54 125.02 35.04 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 113.958 -2.925 . . . . 10.0 113.575 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.475 ' HB3' HG12 ' A' ' 44' ' ' VAL . 3.8 tmtm? -124.98 93.64 3.95 Favored 'General case' 0 C--O 1.196 -1.728 0 O-C-N 128.013 3.321 . . . . 10.0 111.524 179.779 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.559 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.295 0.5 OUTLIER -134.47 135.41 42.45 Favored 'General case' 0 CA--C 1.508 -0.654 1 O-C-N 129.886 4.491 . . . . 10.0 113.225 179.682 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 153.18 34.73 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 126.158 2.161 . . . . 10.0 106.338 179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -101.41 136.95 40.41 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 128.02 3.325 . . . . 10.0 113.47 179.907 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -115.22 54.21 0.8 Allowed 'General case' 0 C--O 1.209 -1.055 0 N-CA-C 115.278 1.584 . . . . 10.0 115.278 179.784 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.62 127.32 36.24 Favored 'General case' 0 N--CA 1.476 0.865 2 O-C-N 130.055 4.597 . . . . 10.0 108.961 -179.91 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -57.55 -38.2 74.36 Favored 'General case' 0 C--N 1.353 0.744 0 O-C-N 128.291 3.494 . . . . 10.0 109.173 -179.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.476 ' CD2' HG23 ' A' ' 30' ' ' THR . 0.1 OUTLIER -69.16 -53.72 18.64 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 126.885 2.616 . . . . 10.0 115.862 -179.984 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.468 ' HB2' ' C17' ' A' ' 135' ' ' RTL . 25.1 mmm180 -137.79 146.67 43.85 Favored 'General case' 0 C--N 1.351 0.641 0 CA-C-N 111.578 -2.555 . . . . 10.0 114.46 179.717 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -113.15 86.88 2.47 Favored 'General case' 0 C--O 1.206 -1.231 0 O-C-N 126.79 2.556 . . . . 10.0 107.656 -179.882 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -113.45 142.26 46.12 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 126.237 2.21 . . . . 10.0 110.959 179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -117.16 127.54 54.22 Favored 'General case' 0 C--O 1.21 -0.998 0 O-C-N 127.968 3.292 . . . . 10.0 109.774 -179.728 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.438 ' HA ' HD22 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -99.42 41.57 1.15 Allowed 'General case' 0 C--O 1.24 0.576 0 O-C-N 125.279 1.612 . . . . 10.0 112.791 -179.778 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -55.96 129.75 41.0 Favored 'General case' 0 C--O 1.207 -1.168 0 N-CA-C 105.592 -2.003 . . . . 10.0 105.592 179.754 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -161.36 150.43 16.27 Favored 'General case' 0 CA--C 1.481 -1.678 0 CA-C-O 125.292 2.473 . . . . 10.0 109.941 -179.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.2 m -95.98 141.98 28.75 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.467 -2.42 . . . . 10.0 104.467 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.489 ' CG2' ' CE1' ' A' ' 50' ' ' PHE . 6.2 t -78.74 130.95 35.44 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.843 0 N-CA-C 115.838 1.792 . . . . 10.0 115.838 -179.87 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.72 8.46 57.0 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 117.868 -2.111 . . . . 10.0 117.061 -179.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 69' ' ' VAL 0.268 4.8 t -134.51 92.37 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 CA-C-N 111.329 -2.435 . . . . 10.0 104.55 179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -49.15 156.67 0.52 Allowed 'General case' 0 C--N 1.346 0.455 0 CA-C-N 109.713 -3.403 . . . . 10.0 116.391 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -149.99 118.06 6.34 Favored 'General case' 0 N--CA 1.44 -0.959 1 O-C-N 129.876 4.485 . . . . 10.0 118.722 179.994 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -65.0 87.48 0.06 Allowed 'General case' 0 CA--C 1.483 -1.619 0 C-N-CA 125.265 1.426 . . . . 10.0 112.396 179.883 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -84.67 -179.87 7.22 Favored 'General case' 0 CA--C 1.483 -1.621 0 CA-C-O 124.421 2.058 . . . . 10.0 109.583 -179.927 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.427 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 0.0 OUTLIER -142.36 115.75 9.01 Favored 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.299 -2.682 . . . . 10.0 110.927 179.681 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.407 ' CB ' ' HA3' ' A' ' 80' ' ' GLY . 0.8 OUTLIER -108.82 37.4 2.55 Favored 'General case' 0 C--O 1.195 -1.791 0 CA-C-N 112.785 -2.007 . . . . 10.0 108.425 179.806 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.494 ' HA ' ' HA ' ' A' ' 81' ' ' ARG . 2.8 ptmt -75.56 3.66 9.04 Favored 'General case' 0 N--CA 1.446 -0.648 0 CA-C-N 111.166 -2.743 . . . . 10.0 115.516 179.567 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.06 -54.3 1.9 Allowed Glycine 0 N--CA 1.48 1.59 0 N-CA-C 104.273 -3.531 . . . . 10.0 104.273 178.864 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.821 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.3 OUTLIER -79.21 -163.33 0.49 Allowed 'General case' 0 N--CA 1.477 0.894 2 CA-C-N 105.241 -5.48 . . . . 10.0 105.138 176.01 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -98.64 39.74 1.24 Allowed 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 116.807 -1.957 . . . . 10.0 107.722 179.492 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.407 ' HA3' ' CB ' ' A' ' 75' ' ' THR . . . -93.57 -44.79 3.6 Favored Glycine 0 CA--C 1.489 -1.593 0 CA-C-O 123.982 1.879 . . . . 10.0 113.511 -179.108 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.494 ' HA ' ' HA ' ' A' ' 76' ' ' LYS . 7.5 mtt180 43.06 12.53 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.034 0 CA-C-N 108.759 -3.721 . . . . 10.0 116.108 -179.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.3 t30 165.18 108.62 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.478 0 CA-C-N 120.674 1.579 . . . . 10.0 114.251 -179.723 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.7 m -156.63 169.45 0.66 Allowed 'Isoleucine or valine' 0 C--O 1.214 -0.763 0 N-CA-C 114.179 1.178 . . . . 10.0 114.179 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.439 ' N ' ' CD ' ' A' ' 84' ' ' LYS . 0.0 OUTLIER -156.84 135.56 11.63 Favored 'General case' 0 N--CA 1.437 -1.106 0 O-C-N 126.952 2.658 . . . . 10.0 109.161 179.791 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.506 HG23 ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -118.17 170.97 8.44 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 117.665 2.469 . . . . 10.0 117.665 -179.832 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' N ' HG23 ' A' ' 85' ' ' THR . 1.8 tt -159.28 129.46 5.72 Favored 'General case' 0 N--CA 1.442 -0.871 1 CA-C-N 107.697 -4.319 . . . . 10.0 113.19 179.765 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.418 ' CG1' HG13 ' A' ' 67' ' ' VAL . 36.8 t -107.53 148.94 11.31 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 C-N-CA 125.716 1.606 . . . . 10.0 107.966 179.74 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.9 p -139.34 10.18 2.52 Favored 'General case' 0 CA--C 1.474 -1.956 0 CA-C-N 112.242 -2.253 . . . . 10.0 112.924 -179.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.529 ' CH2' ' HE3' ' A' ' 3' ' ' LYS . 36.0 m95 59.03 -175.01 0.09 Allowed 'General case' 0 C--N 1.342 0.272 0 O-C-N 118.075 -2.89 . . . . 10.0 109.427 -179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 173.64 38.8 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.792 1 CA-C-O 128.57 4.033 . . . . 10.0 115.578 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 59.83 82.66 0.06 OUTLIER Glycine 0 C--O 1.206 -1.599 0 CA-C-N 110.829 -2.896 . . . . 10.0 106.997 -179.527 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 80.54 28.28 0.24 Allowed 'General case' 0 C--O 1.195 -1.802 0 O-C-N 127.439 2.493 . . . . 10.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.72 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.3 -168.6 2.33 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-O 116.32 -1.8 . . . . 10.0 114.35 179.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.45 HD23 ' C ' ' A' ' 93' ' ' THR . 0.3 OUTLIER -173.49 70.41 0.03 OUTLIER 'General case' 0 C--O 1.204 -1.322 0 O-C-N 128.248 3.468 . . . . 10.0 112.472 179.898 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.588 HG22 ' HD3' ' A' ' 108' ' ' LYS . 4.4 t -66.31 97.1 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 CA-C-N 110.129 -3.214 . . . . 10.0 112.5 -179.933 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.489 ' C ' HG22 ' A' ' 97' ' ' VAL . 1.2 t -89.16 164.65 14.91 Favored 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 105.903 -1.888 . . . . 10.0 105.903 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.518 HG12 ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -162.11 109.23 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.823 0 CA-C-O 126.883 3.23 . . . . 10.0 112.324 -179.863 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.518 ' NE2' HH21 ' A' ' 105' ' ' ARG . 0.0 OUTLIER -86.38 148.02 25.76 Favored 'General case' 0 CA--C 1.531 0.248 0 O-C-N 117.917 -2.989 . . . . 10.0 110.183 179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.429 ' HB2' ' HD3' ' A' ' 84' ' ' LYS . 24.7 mmtt -125.91 -169.69 2.05 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-N 110.016 -3.266 . . . . 10.0 108.515 179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 98.23 -12.9 63.52 Favored Glycine 0 C--O 1.215 -1.088 0 CA-C-O 122.085 0.825 . . . . 10.0 112.041 -179.854 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 162.64 -31.56 0.0 OUTLIER 'General case' 0 C--O 1.211 -0.948 0 CA-C-N 110.856 -2.672 . . . . 10.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -63.35 -54.39 37.73 Favored 'General case' 0 C--O 1.208 -1.122 0 CA-C-O 124.14 1.924 . . . . 10.0 110.168 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 74.31 -52.2 0.68 Allowed 'General case' 0 N--CA 1.432 -1.362 0 CA-C-N 109.447 -3.524 . . . . 10.0 117.785 179.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.518 ' HA ' HG12 ' A' ' 97' ' ' VAL . 48.2 p-10 -128.1 48.47 2.28 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 128.588 3.68 . . . . 10.0 109.705 -179.906 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.518 HH21 ' NE2' ' A' ' 98' ' ' GLN . 35.3 ttp85 -101.28 89.43 3.77 Favored 'General case' 0 C--O 1.198 -1.625 0 O-C-N 124.797 1.311 . . . . 10.0 110.053 179.596 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.44 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -122.41 176.15 16.47 Favored Glycine 0 CA--C 1.541 1.675 0 O-C-N 128.367 3.542 . . . . 10.0 115.792 179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.873 ' CB ' HD11 ' A' ' 118' ' ' LEU 0.301 0.0 OUTLIER -140.99 133.31 28.22 Favored 'General case' 0 C--O 1.197 -1.66 1 O-C-N 131.092 4.642 . . . . 10.0 113.476 -179.961 . . . . . . . . 5 4 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.588 ' HD3' HG22 ' A' ' 95' ' ' VAL . 0.7 OUTLIER -116.58 64.22 0.71 Allowed 'General case' 0 C--O 1.204 -1.328 0 O-C-N 128.803 3.815 . . . . 10.0 115.595 179.842 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.691 ' HG3' HD13 ' A' ' 118' ' ' LEU 0.365 8.9 mt-30 -78.33 114.44 17.23 Favored 'General case' 0 C--N 1.351 0.647 1 CA-C-N 107.238 -4.528 . . . . 10.0 104.847 -179.72 . . . . . . . . 4 3 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.72 ' CB ' HG23 ' A' ' 93' ' ' THR 0.263 0.8 OUTLIER -115.63 1.58 13.57 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 129.035 3.959 . . . . 10.0 117.013 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 15.7 t 48.59 118.66 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.808 1 CA-C-O 130.438 4.923 . . . . 10.0 118.835 179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -110.12 -58.07 2.12 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 118.219 -2.801 . . . . 10.0 115.579 179.689 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 152.57 95.37 0.12 Allowed Glycine 0 C--O 1.22 -0.78 0 O-C-N 124.682 1.238 . . . . 10.0 115.083 -179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 57.65 18.1 4.48 Favored 'General case' 0 C--O 1.206 -1.236 0 N-CA-C 116.945 2.202 . . . . 10.0 116.945 -179.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -177.9 122.14 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 1 O-C-N 134.94 7.65 . . . . 10.0 106.453 -179.482 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.421 ' HG ' ' CB ' ' A' ' 131' ' ' PHE . 0.4 OUTLIER -141.95 179.94 6.58 Favored 'General case' 0 C--O 1.205 -1.287 1 O-C-N 130.319 4.762 . . . . 10.0 111.792 -179.685 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.568 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.6 m-85 -129.31 103.84 7.17 Favored 'General case' 0 C--O 1.214 -0.813 0 O-C-N 127.957 3.286 . . . . 10.0 110.384 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.873 HD11 ' CB ' ' A' ' 107' ' ' TRP . 7.4 tp -98.7 95.8 7.48 Favored 'General case' 0 C--N 1.357 0.909 0 CA-C-N 110.991 -2.822 . . . . 10.0 107.991 179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 2.8 mt-10 -64.96 120.86 13.38 Favored 'General case' 0 CA--C 1.491 -1.324 0 O-C-N 126.143 2.152 . . . . 10.0 106.312 -179.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.489 ' HG ' ' HG2' ' A' ' 129' ' ' GLN . 0.0 OUTLIER -107.13 114.4 28.44 Favored 'General case' 0 C--N 1.363 1.17 0 O-C-N 127.84 3.213 . . . . 10.0 114.199 -179.577 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 69.0 p -99.99 134.94 42.17 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 127.309 2.881 . . . . 10.0 103.879 179.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.537 ' O ' ' HB2' ' A' ' 23' ' ' ALA 0.255 21.4 p -162.83 35.38 0.1 Allowed 'General case' 0 CA--C 1.484 -1.56 0 CA-C-O 127.629 3.585 . . . . 10.0 112.115 -179.777 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 149.73 -177.6 27.77 Favored Glycine 0 C--N 1.345 1.04 0 CA-C-N 111.05 -2.796 . . . . 10.0 110.78 -179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.47 -33.52 1.11 Allowed 'General case' 0 C--O 1.204 -1.294 0 CA-C-N 111.567 -2.317 . . . . 10.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -112.57 148.38 34.65 Favored 'General case' 0 N--CA 1.484 1.245 0 O-C-N 127.347 2.904 . . . . 10.0 104.433 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 127' ' ' CYS . 45.2 t -108.33 152.31 10.25 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.811 0 CA-C-N 111.285 -2.689 . . . . 10.0 114.45 -179.78 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.433 ' N ' HG12 ' A' ' 126' ' ' VAL . 0.0 OUTLIER -121.4 -163.07 1.01 Allowed 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 125.586 1.554 . . . . 10.0 109.923 179.923 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' A' ' 15' ' ' GLU . 16.0 ttm180 -154.66 98.83 2.11 Favored 'General case' 0 CA--C 1.506 -0.747 0 O-C-N 126.074 2.109 . . . . 10.0 111.387 -179.946 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.489 ' HG2' ' HG ' ' A' ' 120' ' ' LEU . 89.1 mm-40 -61.86 166.45 4.48 Favored 'General case' 0 CA--C 1.505 -0.769 0 C-N-CA 115.802 -2.359 . . . . 10.0 112.342 -179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.538 ' CG2' ' HB2' ' A' ' 13' ' ' SER . 2.2 t -133.19 108.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 N-CA-C 103.383 -2.821 . . . . 10.0 103.383 179.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.812 ' CE1' HD23 ' A' ' 118' ' ' LEU . 4.3 m-85 -115.76 137.4 52.12 Favored 'General case' 0 CA--C 1.478 -1.797 1 O-C-N 129.114 4.009 . . . . 10.0 117.829 -179.358 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . 0.304 26.8 mtmt -121.7 -170.52 2.06 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 114.961 -2.447 . . . . 10.0 104.67 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.544 ' CB ' ' HA ' ' A' ' 9' ' ' TRP . 0.1 OUTLIER 72.45 -173.98 0.16 Allowed 'General case' 0 C--O 1.194 -1.856 1 O-C-N 131.106 5.254 . . . . 10.0 117.349 179.79 . . . . . . . . 4 4 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.455 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.259 1.561 0 CA-C-O 114.506 -2.664 . . . . 10.0 115.228 -179.553 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.821 ' H42' HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.3 mmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 123.588 1.661 . . . . 10.0 108.821 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.547 HG22 ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -148.52 -70.28 0.21 Allowed 'General case' 0 C--O 1.206 -1.229 0 CA-C-N 112.317 -2.22 . . . . 10.0 109.541 179.992 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.512 ' HE3' ' CZ3' ' A' ' 89' ' ' TRP . 0.0 OUTLIER -113.79 -157.41 0.62 Allowed 'General case' 0 C--O 1.238 0.487 0 O-C-N 125.554 1.784 . . . . 10.0 115.677 179.974 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.3 t70 103.34 72.16 0.0 OUTLIER 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 102.906 -2.998 . . . . 10.0 102.906 -179.89 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -53.13 -81.37 0.01 OUTLIER 'General case' 0 C--N 1.312 -1.06 0 O-C-N 127.923 3.265 . . . . 10.0 107.251 -179.603 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 9.59 89.8 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.481 1 O-C-N 129.944 4.527 . . . . 10.0 111.842 179.845 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.38 -174.97 43.34 Favored Glycine 0 C--O 1.203 -1.819 0 CA-C-O 116.476 -2.291 . . . . 10.0 110.991 -179.735 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.538 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 2.3 m -107.46 153.2 23.16 Favored 'General case' 0 N--CA 1.476 0.849 1 O-C-N 134.247 6.498 . . . . 10.0 108.653 -179.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.635 ' CD1' ' N ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -158.61 65.44 0.43 Allowed 'General case' 0 CA--C 1.497 -1.093 0 O-C-N 127.715 3.134 . . . . 10.0 113.393 -179.007 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -65.22 98.46 0.32 Allowed 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.256 -1.527 . . . . 10.0 107.499 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.548 ' CG ' ' CZ ' ' A' ' 131' ' ' PHE . 0.2 OUTLIER -41.08 151.5 0.06 Allowed 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 127.166 2.187 . . . . 10.0 111.001 -179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -114.02 -43.31 3.26 Favored 'General case' 0 N--CA 1.442 -0.846 0 O-C-N 128.272 3.482 . . . . 10.0 112.488 -179.921 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -163.04 -177.18 5.28 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 116.739 -1.985 . . . . 10.0 112.737 -179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -149.11 155.21 40.36 Favored 'General case' 0 C--N 1.314 -0.974 1 CA-C-N 108.19 -4.096 . . . . 10.0 110.281 -179.877 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -98.27 -31.23 12.17 Favored 'General case' 0 CA--C 1.494 -1.208 1 O-C-N 130.383 4.802 . . . . 10.0 114.365 -179.535 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 127' ' ' CYS . 1.9 m-20 -128.79 82.11 2.07 Favored 'General case' 0 C--O 1.212 -0.888 0 CA-C-O 122.277 1.037 . . . . 10.0 108.321 179.782 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CD1' HG22 ' A' ' 35' ' ' VAL . 2.6 m-85 -56.41 -36.87 69.43 Favored 'General case' 0 C--O 1.203 -1.343 0 CA-C-O 126.744 3.164 . . . . 10.0 106.765 -179.96 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -70.05 -33.68 72.26 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 112.252 -2.249 . . . . 10.0 115.862 -179.898 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.82 -21.48 74.28 Favored Glycine 0 CA--C 1.494 -1.236 1 O-C-N 129.117 4.01 . . . . 10.0 108.583 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.413 ' CE1' H192 ' A' ' 135' ' ' RTL . 0.1 OUTLIER -71.5 -45.51 62.25 Favored 'General case' 0 C--O 1.197 -1.686 0 CA-C-O 124.111 1.91 . . . . 10.0 106.007 -179.851 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HE3' ' CE1' ' A' ' 28' ' ' PHE . 4.0 tmm? -60.09 -22.13 62.36 Favored 'General case' 0 CA--C 1.495 -1.17 0 CA-C-N 112.777 -2.01 . . . . 10.0 113.524 179.874 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -80.08 -20.03 46.08 Favored 'General case' 0 C--O 1.203 -1.357 0 O-C-N 128.265 3.478 . . . . 10.0 110.564 179.403 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.564 ' HB3' HD23 ' A' ' 24' ' ' LEU . . . -60.03 -22.66 62.92 Favored 'General case' 0 C--O 1.209 -1.052 0 CA-C-N 110.789 -2.914 . . . . 10.0 112.898 179.269 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD23 ' HB3' ' A' ' 23' ' ' ALA . 1.1 pt? -179.07 138.83 0.15 Allowed 'General case' 0 C--O 1.209 -1.049 1 O-C-N 130.744 5.028 . . . . 10.0 110.426 179.32 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.64 70.58 0.02 OUTLIER 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 111.732 -2.485 . . . . 10.0 111.898 179.616 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.562 HG23 ' HB ' ' A' ' 30' ' ' THR . 10.4 tp -90.21 -32.83 5.64 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.117 0 CA-C-N 111.153 -2.749 . . . . 10.0 110.091 -179.926 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.435 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 4.7 t70 114.81 160.09 0.0 OUTLIER 'General case' 0 C--O 1.215 -0.717 0 CA-C-N 110.258 -3.155 . . . . 10.0 113.128 178.731 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' CE1' ' HE3' ' A' ' 21' ' ' MET . 0.1 OUTLIER -68.15 -27.14 66.18 Favored 'General case' 0 CA--C 1.49 -1.342 0 O-C-N 124.936 1.398 . . . . 10.0 113.893 -179.868 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.58 -28.3 69.54 Favored 'General case' 0 C--O 1.209 -1.075 0 C-N-CA 126.635 1.974 . . . . 10.0 111.004 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.562 ' HB ' HG23 ' A' ' 26' ' ' ILE . 5.0 m -67.57 -48.46 66.84 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 111.463 -2.608 . . . . 10.0 115.675 -179.803 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.432 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -65.29 -31.83 73.18 Favored 'General case' 0 C--N 1.312 -1.048 0 O-C-N 128.625 3.703 . . . . 10.0 112.01 -179.866 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.566 ' HG2' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -71.07 -29.41 65.27 Favored 'General case' 0 CA--C 1.485 -1.541 0 C-N-CA 118.314 -1.354 . . . . 10.0 112.108 -179.745 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.587 HG13 ' CD2' ' A' ' 58' ' ' PHE . 2.4 mm -79.76 -51.28 16.62 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.714 0 O-C-N 127.18 2.8 . . . . 10.0 106.997 179.299 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.924 ' HA ' HG23 ' A' ' 57' ' ' THR . . . -57.55 -21.3 37.62 Favored 'General case' 0 C--O 1.203 -1.377 0 CA-C-N 111.504 -2.589 . . . . 10.0 113.498 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 36' ' ' ARG . 1.2 t -62.52 -37.85 79.9 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.097 0 CA-C-N 111.417 -2.629 . . . . 10.0 111.501 179.869 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.479 ' N ' HG12 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -111.7 -23.6 10.54 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-N 110.62 -2.991 . . . . 10.0 114.505 -179.923 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.697 HD12 ' H ' ' A' ' 57' ' ' THR . 0.6 OUTLIER -61.79 132.78 54.24 Favored 'General case' 0 C--O 1.213 -0.864 0 O-C-N 126.064 2.102 . . . . 10.0 107.19 -179.93 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.4 p -92.16 75.89 5.38 Favored 'General case' 0 N--CA 1.484 1.246 1 O-C-N 131.905 5.753 . . . . 10.0 110.411 179.673 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.451 ' HB3' ' CE ' ' A' ' 11' ' ' MET . 70.5 tp60 -45.82 113.19 0.57 Allowed 'General case' 0 CA--C 1.496 -1.119 0 N-CA-C 117.561 2.43 . . . . 10.0 117.561 -179.686 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 16.6 m -80.72 141.4 34.88 Favored 'General case' 0 C--O 1.211 -0.958 1 O-C-N 132.039 5.837 . . . . 10.0 109.988 -179.983 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.571 ' HE3' ' CD1' ' A' ' 9' ' ' TRP 0.332 1.6 ttpp -158.96 152.53 22.94 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 128.025 3.328 . . . . 10.0 109.299 -179.067 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.553 ' N ' ' HZ2' ' A' ' 41' ' ' LYS . 2.3 tt -163.25 107.51 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.488 -1.42 0 O-C-N 127.205 2.816 . . . . 10.0 112.338 178.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.536 HG22 ' H ' ' A' ' 44' ' ' VAL . 4.4 mt -82.38 166.72 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.921 0 C-N-CA 128.909 2.884 . . . . 10.0 110.035 -178.77 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.536 ' H ' HG22 ' A' ' 43' ' ' ILE . 11.5 p -166.0 50.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.202 -1.405 0 CA-C-N 112.016 -2.357 . . . . 10.0 110.376 -179.846 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.516 ' CB ' ' CB ' ' A' ' 50' ' ' PHE . 0.0 OUTLIER -69.55 153.71 43.08 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 113.942 -1.481 . . . . 10.0 114.322 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -129.76 -39.59 1.42 Allowed 'General case' 0 CA--C 1.501 -0.928 0 CA-C-N 109.894 -3.321 . . . . 10.0 116.397 -179.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -146.83 -85.8 0.06 OUTLIER Glycine 0 C--O 1.199 -2.093 0 CA-C-N 114.286 -1.325 . . . . 10.0 111.314 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.729 ' O ' HG22 ' A' ' 66' ' ' THR . 6.0 m-20 -136.59 17.99 3.1 Favored 'General case' 0 C--O 1.213 -0.84 0 O-C-N 127.382 2.46 . . . . 10.0 110.498 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -136.35 77.41 1.65 Allowed 'General case' 0 C--O 1.244 0.769 0 O-C-N 126.905 2.628 . . . . 10.0 112.247 179.717 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.516 ' CB ' ' CB ' ' A' ' 45' ' ' GLN . 3.9 p90 -115.06 154.63 28.53 Favored 'General case' 0 CA--C 1.485 -1.523 0 N-CA-C 118.576 2.806 . . . . 10.0 118.576 179.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.03 144.21 33.52 Favored 'General case' 0 CA--C 1.476 -1.866 0 O-C-N 126.677 2.485 . . . . 10.0 112.883 179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . 0.307 0.0 OUTLIER -138.89 140.46 38.41 Favored 'General case' 0 CA--C 1.502 -0.874 0 O-C-N 126.329 2.268 . . . . 10.0 109.663 -179.981 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.54 143.22 50.33 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 126.163 2.164 . . . . 10.0 108.83 -179.87 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.441 ' CG2' ' HG3' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -110.02 97.71 7.15 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 123.726 1.727 . . . . 10.0 113.099 179.927 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -99.22 82.08 2.65 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 111.248 -2.705 . . . . 10.0 110.099 179.785 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 161.17 -179.92 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.04 1 O-C-N 130.91 5.131 . . . . 10.0 111.938 -179.418 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.924 HG23 ' HA ' ' A' ' 34' ' ' ALA . 28.2 m 68.08 33.88 4.3 Favored 'General case' 0 C--O 1.205 -1.264 2 O-C-N 132.569 6.168 . . . . 10.0 109.271 178.178 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.587 ' CD2' HG13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER 65.73 26.03 11.4 Favored 'General case' 0 N--CA 1.473 0.683 1 O-C-N 133.608 6.817 . . . . 10.0 116.939 179.397 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.434 ' HG2' ' CD1' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -145.48 170.61 16.06 Favored 'General case' 0 C--N 1.366 1.317 0 CA-C-N 109.75 -3.387 . . . . 10.0 115.865 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -128.08 83.18 2.14 Favored 'General case' 0 C--O 1.205 -1.243 2 O-C-N 131.453 5.471 . . . . 10.0 105.854 179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -115.23 153.61 30.56 Favored 'General case' 0 C--N 1.318 -0.787 0 O-C-N 128.964 3.915 . . . . 10.0 113.462 -179.805 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -138.22 152.05 48.24 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 128.345 3.528 . . . . 10.0 115.028 -179.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.22 26.52 7.4 Favored 'General case' 0 CA--C 1.501 -0.917 0 O-C-N 126.755 2.534 . . . . 10.0 113.619 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 123.21 13.34 Favored 'General case' 0 C--O 1.202 -1.404 0 CA-C-O 125.926 2.775 . . . . 10.0 106.194 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CD2' ' CG2' ' A' ' 85' ' ' THR . 5.2 t80 -172.09 145.22 1.76 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-O 127.079 3.323 . . . . 10.0 111.468 -179.557 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 48' ' ' ASP . 0.0 OUTLIER -70.63 178.4 3.04 Favored 'General case' 0 C--O 1.218 -0.6 0 CA-C-N 110.647 -2.979 . . . . 10.0 108.79 -179.903 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 48' ' ' ASP . 20.8 t -92.92 99.25 9.41 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.515 0 O-C-N 128.757 3.785 . . . . 10.0 113.804 179.785 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.37 12.23 65.97 Favored Glycine 0 CA--C 1.487 -1.673 0 C-N-CA 114.89 -3.529 . . . . 10.0 117.582 179.835 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 t -101.87 74.26 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.198 -1.616 0 N-CA-C 103.621 -2.733 . . . . 10.0 103.621 -179.827 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -11.12 101.37 0.01 OUTLIER 'General case' 0 N--CA 1.445 -0.697 2 O-C-N 132.619 6.199 . . . . 10.0 117.615 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' HB2' ' CD1' ' A' ' 65' ' ' PHE . 1.7 m-30 -111.56 113.62 26.15 Favored 'General case' 0 CA--C 1.506 -0.722 0 O-C-N 127.568 3.042 . . . . 10.0 116.606 -179.696 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 84' ' ' LYS . 0.9 OUTLIER -72.88 86.92 1.29 Allowed 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 119.626 -1.921 . . . . 10.0 113.039 -179.749 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -79.35 -179.98 7.09 Favored 'General case' 0 CA--C 1.494 -1.201 0 CA-C-O 125.586 2.612 . . . . 10.0 110.469 -179.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -154.93 136.25 14.07 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 109.099 -3.682 . . . . 10.0 111.24 179.884 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 7.7 p -101.91 36.48 2.07 Favored 'General case' 0 C--O 1.198 -1.637 0 CA-C-N 110.022 -3.263 . . . . 10.0 113.986 -179.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -37.23 -52.42 1.05 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 127.573 3.046 . . . . 10.0 115.679 -179.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -51.29 -32.1 28.8 Favored Glycine 0 N--CA 1.468 0.79 0 CA-C-N 111.018 -2.81 . . . . 10.0 110.768 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.612 HD21 H172 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -95.05 -91.38 0.21 Allowed 'General case' 0 C--N 1.353 0.722 0 O-C-N 128.564 3.155 . . . . 10.0 112.978 -179.845 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -114.81 -25.51 8.19 Favored 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 113.5 0.926 . . . . 10.0 113.5 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.05 39.26 4.36 Favored Glycine 0 N--CA 1.476 1.354 0 C-N-CA 125.888 1.709 . . . . 10.0 116.753 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 171.84 4.73 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 108.982 -3.609 . . . . 10.0 109.312 -179.819 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.13 105.83 7.26 Favored 'General case' 0 C--O 1.198 -1.613 0 O-C-N 124.979 1.424 . . . . 10.0 108.098 179.806 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.545 HG21 ' CD ' ' A' ' 98' ' ' GLN . 0.8 OUTLIER -135.83 159.12 39.61 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.305 1 O-C-N 131.541 5.526 . . . . 10.0 117.972 -179.401 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' HG3' ' CG ' ' A' ' 72' ' ' ASP . 1.4 mppt? -119.32 105.27 11.15 Favored 'General case' 0 N--CA 1.44 -0.966 1 O-C-N 131.86 5.725 . . . . 10.0 111.374 -179.581 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.544 ' CG2' ' CD2' ' A' ' 65' ' ' PHE . 0.5 OUTLIER -86.55 141.61 28.91 Favored 'General case' 0 C--O 1.2 -1.515 0 CA-C-N 113.433 -1.712 . . . . 10.0 113.4 179.99 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -154.26 111.56 3.41 Favored 'General case' 0 N--CA 1.428 -1.57 0 O-C-N 126.798 2.561 . . . . 10.0 116.46 -179.845 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.26 145.67 7.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.608 1.963 . . . . 10.0 107.034 178.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.273 97.6 m -132.77 -7.39 3.17 Favored 'General case' 0 CA--C 1.471 -2.067 0 CA-C-N 112.672 -2.058 . . . . 10.0 113.91 -178.932 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 11.1 m95 65.13 120.14 0.02 OUTLIER 'General case' 0 C--N 1.343 0.314 0 O-C-N 118.812 -2.43 . . . . 10.0 110.737 -179.222 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.65 52.17 0.9 Allowed 'General case' 0 C--O 1.209 -1.072 1 CA-C-O 131.133 5.254 . . . . 10.0 114.078 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 94.88 -74.96 0.94 Allowed Glycine 0 C--N 1.359 1.828 0 CA-C-N 110.081 -3.236 . . . . 10.0 107.346 -179.987 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.547 ' ND2' HG22 ' A' ' 2' ' ' THR . 0.0 OUTLIER -99.0 -41.17 7.69 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 128.364 3.038 . . . . 10.0 110.225 -179.976 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.603 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -62.6 -161.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.305 0 CA-C-N 112.039 -2.346 . . . . 10.0 114.397 179.839 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 89' ' ' TRP . 0.7 OUTLIER -142.34 -46.76 0.34 Allowed 'General case' 0 C--N 1.31 -1.15 0 O-C-N 128.44 3.588 . . . . 10.0 113.924 179.908 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 95' ' ' VAL . 85.1 t 45.46 83.75 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.5 -0.955 0 N-CA-C 117.279 2.325 . . . . 10.0 117.279 179.707 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.543 ' CB ' ' CH2' ' A' ' 107' ' ' TRP . 4.6 t -95.79 159.65 14.87 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 102.837 -3.023 . . . . 10.0 102.837 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 106' ' ' GLY . 1.3 p -169.93 136.52 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 1 CA-C-O 129.119 4.295 . . . . 10.0 111.131 179.959 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.545 ' CD ' HG21 ' A' ' 83' ' ' VAL . 83.0 mt-30 -99.65 165.58 11.54 Favored 'General case' 0 C--N 1.36 1.058 0 CA-C-N 110.316 -3.129 . . . . 10.0 112.416 179.937 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.637 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 0.0 OUTLIER -144.61 -167.77 2.73 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 110.569 -3.014 . . . . 10.0 108.215 179.921 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 111.36 -69.41 0.22 Allowed Glycine 0 C--O 1.201 -1.919 0 CA-C-O 126.007 3.004 . . . . 10.0 107.116 -179.972 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -140.48 25.25 2.22 Favored 'General case' 0 CA--C 1.498 -1.044 1 CA-C-N 106.541 -4.83 . . . . 10.0 109.328 -179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' A' ' 104' ' ' ASN . 8.0 ptpt -165.71 37.06 0.06 Allowed 'General case' 0 CA--C 1.509 -0.625 0 CA-C-N 112.917 -1.947 . . . . 10.0 114.353 179.997 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.637 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 30.8 mt-10 -25.25 -35.65 0.0 OUTLIER 'General case' 0 C--O 1.207 -1.149 0 C-N-CA 127.26 2.224 . . . . 10.0 116.296 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 102' ' ' LYS . 29.7 t-20 -113.07 61.62 0.64 Allowed 'General case' 0 C--O 1.244 0.776 0 O-C-N 128.239 3.462 . . . . 10.0 110.52 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 11.5 ttt180 -126.89 78.9 1.84 Allowed 'General case' 0 C--O 1.202 -1.437 0 O-C-N 125.155 1.534 . . . . 10.0 109.004 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.491 ' N ' HG23 ' A' ' 97' ' ' VAL . . . -131.68 153.39 20.44 Favored Glycine 0 CA--C 1.535 1.336 2 O-C-N 133.92 7.013 . . . . 10.0 113.192 -179.89 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -115.14 132.63 56.54 Favored 'General case' 0 C--O 1.214 -0.781 1 O-C-N 132.042 5.201 . . . . 10.0 113.398 -179.985 . . . . . . . . 4 4 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 19.6 mttt -114.69 70.34 0.73 Allowed 'General case' 0 C--N 1.351 0.65 0 CA-C-N 111.021 -2.809 . . . . 10.0 115.094 -179.896 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.764 ' HB2' HD13 ' A' ' 118' ' ' LEU . 21.6 tt0 -92.48 110.09 21.5 Favored 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 109.315 -3.584 . . . . 10.0 105.162 -179.65 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.603 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.2 p90 -114.79 1.74 14.2 Favored 'General case' 0 CA--C 1.48 -1.742 0 O-C-N 128.365 3.541 . . . . 10.0 116.832 179.903 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.515 HG23 ' C ' ' A' ' 110' ' ' TRP . 2.0 t 62.74 141.16 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 N-CA-C 118.321 2.711 . . . . 10.0 118.321 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -143.73 15.23 1.77 Allowed 'General case' 0 CA--C 1.49 -1.342 0 CA-C-N 111.139 -2.755 . . . . 10.0 116.634 179.689 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.04 103.55 0.57 Allowed Glycine 0 N--CA 1.437 -1.265 0 O-C-N 119.031 -2.293 . . . . 10.0 112.106 179.932 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . 0.416 ' HA ' ' HG2' ' A' ' 133' ' ' LYS . 0.0 OUTLIER 41.52 51.32 3.8 Favored 'General case' 0 C--O 1.213 -0.845 0 N-CA-C 116.577 2.066 . . . . 10.0 116.577 179.962 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 155.38 95.27 0.0 OUTLIER 'General case' 0 C--N 1.313 -0.989 1 O-C-N 130.288 4.742 . . . . 10.0 109.41 179.946 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.805 HD22 ' H ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -97.52 -169.74 1.89 Allowed 'General case' 0 C--O 1.209 -1.036 0 O-C-N 126.309 2.256 . . . . 10.0 110.88 179.718 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -146.86 72.77 1.28 Allowed 'General case' 0 C--O 1.206 -1.196 0 CA-C-O 126.439 3.019 . . . . 10.0 108.346 179.463 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' A' ' 109' ' ' GLN . 20.8 tp -65.61 126.62 28.92 Favored 'General case' 0 CA--C 1.498 -1.057 1 CA-C-N 107.003 -4.635 . . . . 10.0 110.029 -179.888 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.558 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -107.67 121.49 44.8 Favored 'General case' 0 C--O 1.24 0.581 0 C-N-CA 124.938 1.295 . . . . 10.0 108.765 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.464 HD23 ' HG ' ' A' ' 118' ' ' LEU . 0.8 OUTLIER -104.09 160.14 15.09 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 126.016 2.072 . . . . 10.0 107.788 179.964 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 15.9 p -144.26 19.02 1.74 Allowed 'General case' 0 C--O 1.206 -1.212 0 CA-C-N 112.46 -2.155 . . . . 10.0 110.192 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.404 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 29.7 p -51.88 138.48 24.16 Favored 'General case' 0 CA--C 1.49 -1.337 0 N-CA-C 116.168 1.914 . . . . 10.0 116.168 -179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 59.84 -170.77 6.33 Favored Glycine 0 C--O 1.24 0.53 0 CA-C-N 113.174 -1.83 . . . . 10.0 112.033 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.59 -32.7 63.3 Favored 'General case' 0 C--O 1.205 -1.268 0 O-C-N 126.147 1.734 . . . . 10.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.29 -170.58 2.92 Favored 'General case' 0 C--O 1.199 -1.605 0 O-C-N 127.419 2.95 . . . . 10.0 107.754 179.908 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 120' ' ' LEU . 24.0 t -146.46 125.47 4.9 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.427 0 CA-C-N 110.342 -3.117 . . . . 10.0 114.929 -179.781 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 16' ' ' ASN . 29.0 p -119.12 151.62 37.97 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 107.033 -1.469 . . . . 10.0 107.033 179.747 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -106.64 142.69 35.88 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 126.596 2.435 . . . . 10.0 110.25 179.566 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.471 ' HB3' ' HB3' ' A' ' 118' ' ' LEU . 1.0 OUTLIER -100.81 150.7 22.54 Favored 'General case' 0 CA--C 1.481 -1.702 0 O-C-N 126.586 2.429 . . . . 10.0 115.666 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 17.8 t -137.64 85.42 0.53 Allowed 'Isoleucine or valine' 0 C--O 1.211 -0.97 0 CA-C-O 127.77 3.652 . . . . 10.0 108.547 -179.989 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 9' ' ' TRP 0.282 2.3 m-85 -85.49 -178.09 6.6 Favored 'General case' 0 CA--C 1.507 -0.689 1 CA-C-N 108.357 -4.02 . . . . 10.0 109.653 179.98 . . . . . . . . 4 3 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.451 ' CG ' ' HE3' ' A' ' 134' ' ' LYS 0.309 18.6 ttpt -156.53 127.38 6.8 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 102.596 -3.113 . . . . 10.0 102.596 179.824 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.61 ' HB3' HD11 ' A' ' 116' ' ' LEU . 4.2 ptmt -115.9 160.01 20.77 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 128.304 3.502 . . . . 10.0 118.004 179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' HE3' ' CG ' ' A' ' 132' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.253 1.271 0 N-CA-C 116.298 1.962 . . . . 10.0 116.298 179.669 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.698 H203 ' CE2' ' A' ' 107' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpp . . . . . 0 N--CA 1.516 2.873 0 N-CA-C 107.059 -1.46 . . . . 10.0 107.059 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.65 -60.31 1.97 Allowed 'General case' 0 C--O 1.21 -1.012 0 CA-C-N 114.006 -1.452 . . . . 10.0 109.069 179.971 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' HD2' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -94.49 -33.9 12.91 Favored 'General case' 0 N--CA 1.435 -1.192 0 O-C-N 126.411 2.319 . . . . 10.0 113.115 -179.759 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 34.5 t0 52.29 70.34 0.58 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 112.6 -2.091 . . . . 10.0 107.533 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.553 ' HG3' HG21 ' A' ' 43' ' ' ILE . 0.4 OUTLIER -62.76 -32.1 73.18 Favored 'General case' 0 N--CA 1.485 1.292 0 N-CA-C 104.543 -2.391 . . . . 10.0 104.543 -179.925 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.14 132.13 51.8 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 125.9 2.0 . . . . 10.0 112.29 179.868 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.08 -148.06 5.25 Favored Glycine 0 C--O 1.21 -1.391 0 C-N-CA 117.397 -2.335 . . . . 10.0 114.684 -179.92 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.581 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 1.0 OUTLIER -165.19 138.86 4.71 Favored 'General case' 0 C--O 1.204 -1.316 1 O-C-N 133.813 6.243 . . . . 10.0 103.807 179.994 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -171.24 115.98 0.42 Allowed 'General case' 0 N--CA 1.48 1.046 0 O-C-N 128.592 3.683 . . . . 10.0 116.708 -179.156 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -88.41 101.56 14.02 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 126.414 2.321 . . . . 10.0 108.286 179.607 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.533 ' HG2' ' CE1' ' A' ' 131' ' ' PHE 0.303 2.1 mtp -55.03 138.28 44.34 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 112.389 -2.187 . . . . 10.0 111.016 -179.631 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -142.25 27.44 1.75 Allowed 'General case' 0 C--O 1.201 -1.453 1 O-C-N 130.896 5.123 . . . . 10.0 105.257 179.061 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.527 ' HB3' ' N ' ' A' ' 130' ' ' VAL . 1.7 p -93.64 -177.64 4.45 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 109.949 -3.296 . . . . 10.0 113.485 -179.791 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 97.01 73.6 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.588 2 O-C-N 130.105 4.628 . . . . 10.0 114.068 179.925 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 128' ' ' ARG . 21.3 mm-40 -63.15 -54.06 43.54 Favored 'General case' 0 N--CA 1.487 1.392 2 CA-C-N 107.216 -4.538 . . . . 10.0 107.428 -179.94 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -97.69 68.19 2.07 Favored 'General case' 0 C--O 1.197 -1.703 0 C-N-CA 123.554 0.742 . . . . 10.0 110.362 179.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.462 ' CD2' HG22 ' A' ' 35' ' ' VAL . 1.3 m-85 -42.97 -33.62 0.83 Allowed 'General case' 0 C--O 1.196 -1.727 0 O-C-N 128.078 3.361 . . . . 10.0 110.327 179.939 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -70.56 -31.28 68.25 Favored 'General case' 0 N--CA 1.436 -1.153 0 CA-C-N 111.475 -2.602 . . . . 10.0 117.087 179.667 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.85 -22.07 68.07 Favored Glycine 0 CA--C 1.5 -0.896 1 O-C-N 131.329 5.393 . . . . 10.0 111.528 179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.649 ' CE1' HD12 ' A' ' 120' ' ' LEU . 1.8 m-30 -71.75 -51.78 21.04 Favored 'General case' 0 C--O 1.194 -1.861 0 CA-C-O 125.155 2.407 . . . . 10.0 107.969 -179.968 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -26.19 67.06 Favored 'General case' 0 CA--C 1.488 -1.423 0 CA-C-N 111.816 -2.447 . . . . 10.0 114.111 -179.371 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -75.96 -39.97 54.91 Favored 'General case' 0 C--O 1.21 -0.988 1 O-C-N 129.324 4.14 . . . . 10.0 114.489 -179.99 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.35 -33.17 73.8 Favored 'General case' 0 C--O 1.209 -1.051 0 CA-C-N 109.128 -3.669 . . . . 10.0 111.629 -179.97 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 24' ' ' LEU 0.27 1.8 tp -104.9 -162.76 0.91 Allowed 'General case' 0 N--CA 1.487 1.412 2 O-C-N 131.115 5.259 . . . . 10.0 104.457 179.616 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -168.67 46.64 0.04 OUTLIER 'General case' 0 C--O 1.206 -1.21 1 CA-C-O 130.852 5.12 . . . . 10.0 107.121 179.599 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 27' ' ' ASP . 6.8 tt -76.61 -59.03 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.366 1 CA-C-N 107.795 -4.275 . . . . 10.0 114.54 -179.748 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.432 ' N ' HG23 ' A' ' 26' ' ' ILE . 0.2 OUTLIER 173.04 162.35 0.13 Allowed 'General case' 0 N--CA 1.479 1.014 0 O-C-N 119.261 -2.149 . . . . 10.0 112.64 -179.222 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.68 -23.41 42.47 Favored 'General case' 0 C--O 1.214 -0.801 0 O-C-N 126.442 2.339 . . . . 10.0 112.227 179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -73.19 -27.7 61.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 128.259 3.474 . . . . 10.0 110.17 179.931 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 21.3 m -67.21 -36.28 81.37 Favored 'General case' 0 C--N 1.347 0.481 0 CA-C-N 111.474 -2.603 . . . . 10.0 116.54 179.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -79.58 -38.64 33.58 Favored 'General case' 0 C--N 1.317 -0.847 0 O-C-N 128.647 3.717 . . . . 10.0 108.259 -179.707 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 10.6 tttt -75.96 -27.16 57.41 Favored 'General case' 0 CA--C 1.478 -1.789 0 O-C-N 126.337 2.273 . . . . 10.0 109.776 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.576 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -75.96 -45.08 37.69 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.443 0 O-C-N 127.315 2.884 . . . . 10.0 108.018 -179.931 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.0 -26.06 64.82 Favored 'General case' 0 C--O 1.208 -1.102 0 CA-C-O 127.378 3.466 . . . . 10.0 112.157 -179.965 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.462 HG22 ' CD2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -57.79 -36.75 56.47 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.972 0 CA-C-N 111.944 -2.389 . . . . 10.0 115.903 -179.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.74 -8.17 12.04 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 113.039 -1.892 . . . . 10.0 113.679 179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.7 OUTLIER -72.27 104.19 3.62 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-O 114.357 -2.735 . . . . 10.0 111.792 -179.015 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -95.81 53.31 1.4 Allowed 'General case' 0 N--CA 1.479 0.987 1 O-C-N 131.993 5.808 . . . . 10.0 110.378 179.891 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -61.41 172.8 1.05 Allowed 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 116.274 1.953 . . . . 10.0 116.274 -179.59 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -101.69 169.36 8.87 Favored 'General case' 0 C--O 1.196 -1.747 1 O-C-N 132.29 5.994 . . . . 10.0 112.328 -179.934 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.544 ' HE2' ' CD1' ' A' ' 9' ' ' TRP . 19.3 ttpt -172.67 162.42 5.03 Favored 'General case' 0 N--CA 1.482 1.155 1 O-C-N 130.54 4.9 . . . . 10.0 106.002 179.806 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -172.0 107.38 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.508 -0.657 0 CA-C-O 126.396 2.998 . . . . 10.0 111.897 -179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 9' ' ' TRP . 38.9 mt -79.98 158.99 4.42 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.222 0 CA-C-N 109.645 -3.434 . . . . 10.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.531 ' N ' HG22 ' A' ' 43' ' ' ILE . 3.8 p -168.85 95.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.201 -1.463 0 O-C-N 126.103 2.127 . . . . 10.0 114.231 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -84.51 127.66 34.16 Favored 'General case' 0 CA--C 1.489 -1.389 0 N-CA-C 120.14 3.385 . . . . 10.0 120.14 179.839 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -128.93 55.36 1.73 Allowed 'General case' 0 N--CA 1.484 1.26 1 O-C-N 129.766 4.416 . . . . 10.0 110.161 179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.89 89.19 0.15 Allowed Glycine 0 C--O 1.202 -1.882 0 CA-C-N 113.33 -1.759 . . . . 10.0 110.792 -179.277 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 73.79 -60.77 0.52 Allowed 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 111.074 -2.563 . . . . 10.0 112.59 -179.895 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -63.66 70.11 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 125.908 2.005 . . . . 10.0 114.518 179.949 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.476 ' CD1' ' C ' ' A' ' 50' ' ' PHE . 3.6 p90 -97.91 152.47 19.18 Favored 'General case' 0 CA--C 1.495 -1.155 0 O-C-N 126.408 2.318 . . . . 10.0 116.274 179.778 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.86 142.45 17.59 Favored 'General case' 0 CA--C 1.492 -1.264 0 N-CA-C 116.662 2.097 . . . . 10.0 116.662 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.39 154.98 44.35 Favored 'General case' 0 CA--C 1.503 -0.853 0 O-C-N 128.531 3.645 . . . . 10.0 112.378 -179.95 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.91 111.14 4.89 Favored 'General case' 0 CA--C 1.491 -1.317 0 O-C-N 124.817 1.323 . . . . 10.0 112.386 179.907 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -55.2 153.71 6.58 Favored 'General case' 0 CA--C 1.5 -0.971 0 O-C-N 127.433 2.958 . . . . 10.0 110.012 -179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -137.94 51.57 1.88 Allowed 'General case' 0 C--O 1.218 -0.573 0 N-CA-C 115.503 1.668 . . . . 10.0 115.503 -179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -73.8 -63.1 1.28 Allowed 'General case' 0 N--CA 1.473 0.688 1 O-C-N 129.361 4.163 . . . . 10.0 111.564 179.968 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 1.3 t 118.72 -39.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.679 1 O-C-N 131.351 5.407 . . . . 10.0 107.694 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.459 ' CE1' HG12 ' A' ' 33' ' ' ILE . 9.8 t80 -55.31 -39.55 70.06 Favored 'General case' 0 C--O 1.221 -0.414 0 O-C-N 126.667 2.479 . . . . 10.0 112.35 -179.97 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.527 ' O ' H173 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -167.06 106.93 0.6 Allowed 'General case' 0 C--O 1.211 -0.922 0 CA-C-N 111.998 -2.364 . . . . 10.0 111.225 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -75.56 143.8 42.21 Favored 'General case' 0 C--O 1.206 -1.207 1 O-C-N 130.201 4.688 . . . . 10.0 106.629 179.436 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -147.08 116.32 6.96 Favored 'General case' 0 CA--C 1.504 -0.794 1 O-C-N 130.061 4.6 . . . . 10.0 111.298 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -99.41 99.75 10.71 Favored 'General case' 0 CA--C 1.502 -0.898 0 O-C-N 125.529 1.768 . . . . 10.0 113.613 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.75 31.98 0.11 Allowed 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 117.187 2.291 . . . . 10.0 117.187 179.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -54.22 126.08 21.61 Favored 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 106.761 -1.57 . . . . 10.0 106.761 179.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.597 ' CE2' HG22 ' A' ' 85' ' ' THR . 20.3 t80 -158.5 155.77 29.05 Favored 'General case' 0 CA--C 1.489 -1.366 0 CA-C-O 125.298 2.475 . . . . 10.0 107.858 -179.621 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 88.3 m -106.04 134.85 48.51 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 111.68 -2.509 . . . . 10.0 106.759 179.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 69' ' ' VAL . 53.9 t -58.05 121.94 6.67 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 1 O-C-N 130.441 4.838 . . . . 10.0 114.967 179.903 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 61.13 8.24 11.0 Favored Glycine 0 N--CA 1.489 2.224 0 CA-C-N 111.675 -2.511 . . . . 10.0 116.36 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 67' ' ' VAL . 94.4 t -121.0 89.84 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 N-CA-C 104.488 -2.412 . . . . 10.0 104.488 -179.957 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.755 ' HB3' HD12 ' A' ' 86' ' ' LEU 0.261 9.2 pt-20 -42.6 152.0 0.11 Allowed 'General case' 0 C--N 1.362 1.112 2 CA-C-N 106.836 -4.711 . . . . 10.0 113.955 179.924 . . . . . . . . 4 3 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -138.54 112.65 8.59 Favored 'General case' 0 C--N 1.352 0.703 1 O-C-N 129.222 4.076 . . . . 10.0 117.513 179.943 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -76.91 57.99 1.41 Allowed 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 113.633 0.975 . . . . 10.0 113.633 -179.825 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -68.14 -166.7 0.07 Allowed 'General case' 0 CA--C 1.492 -1.266 0 CA-C-O 123.727 1.727 . . . . 10.0 110.412 179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.456 ' C ' ' CD2' ' A' ' 74' ' ' HIS . 5.7 p-80 -152.97 147.83 26.4 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 124.437 2.065 . . . . 10.0 110.972 179.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.64 HG23 HG21 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.96 6.03 48.16 Favored 'General case' 0 C--O 1.212 -0.905 0 N-CA-C 115.506 1.669 . . . . 10.0 115.506 179.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 81' ' ' ARG . 0.6 OUTLIER -41.92 97.02 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.634 0 O-C-N 128.955 3.909 . . . . 10.0 115.32 179.939 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.76 -33.88 2.0 Favored Glycine 0 C--O 1.204 -1.758 0 CA-C-O 125.093 2.496 . . . . 10.0 111.658 179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.729 HD21 ' H42' ' A' ' 135' ' ' RTL . 0.2 OUTLIER -101.71 28.8 5.33 Favored 'General case' 0 C--N 1.352 0.693 1 CA-C-N 108.085 -4.057 . . . . 10.0 111.892 179.984 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 51.84 43.75 29.88 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 110.943 -2.844 . . . . 10.0 113.664 179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.458 ' HA3' ' HB ' ' A' ' 75' ' ' THR . . . -118.96 -59.38 0.27 Allowed Glycine 0 N--CA 1.475 1.294 0 CA-C-O 124.79 2.328 . . . . 10.0 111.263 179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.429 ' HA ' ' CG ' ' A' ' 76' ' ' LYS . 42.1 mtt180 78.34 -21.02 0.35 Allowed 'General case' 0 CA--C 1.497 -1.061 0 CA-C-N 109.881 -3.159 . . . . 10.0 114.434 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -168.12 129.66 1.41 Allowed 'General case' 0 C--O 1.199 -1.576 0 C-N-CA 117.457 -1.697 . . . . 10.0 111.543 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.64 HG21 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -155.83 142.3 10.89 Favored 'Isoleucine or valine' 0 C--N 1.366 1.3 0 O-C-N 125.897 1.998 . . . . 10.0 115.39 179.967 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.4 120.0 36.27 Favored 'General case' 0 CA--C 1.503 -0.854 1 O-C-N 129.894 4.496 . . . . 10.0 112.416 179.881 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.597 HG22 ' CE2' ' A' ' 65' ' ' PHE . 89.2 m -96.94 141.08 30.55 Favored 'General case' 0 C--O 1.196 -1.756 0 O-C-N 127.151 2.782 . . . . 10.0 116.862 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD12 ' HB3' ' A' ' 70' ' ' GLU . 1.7 tt -154.73 110.7 3.19 Favored 'General case' 0 N--CA 1.436 -1.133 0 CA-C-N 111.179 -2.737 . . . . 10.0 109.887 179.901 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 65' ' ' PHE . 1.9 p -121.1 162.01 20.43 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.018 0 CA-C-O 123.672 1.701 . . . . 10.0 112.87 -179.819 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.287 20.6 m -160.95 123.45 3.16 Favored 'General case' 0 CA--C 1.499 -0.982 0 CA-C-N 112.271 -2.241 . . . . 10.0 110.936 -179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 40.3 m95 -46.9 147.25 1.38 Allowed 'General case' 0 N--CA 1.443 -0.788 0 CA-C-O 114.927 -2.463 . . . . 10.0 105.164 179.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -146.52 39.26 1.06 Allowed 'General case' 0 CA--C 1.475 -1.914 2 CA-C-O 129.305 4.383 . . . . 10.0 118.026 179.89 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 85.38 81.0 1.11 Allowed Glycine 0 N--CA 1.487 2.089 1 CA-C-N 108.316 -4.038 . . . . 10.0 104.827 179.856 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 56.44 46.11 21.37 Favored 'General case' 0 N--CA 1.44 -0.974 1 O-C-N 130.696 4.409 . . . . 10.0 108.06 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.0 OUTLIER -137.32 -158.61 0.88 Allowed 'General case' 0 C--O 1.203 -1.369 0 CA-C-N 111.528 -2.578 . . . . 10.0 111.032 179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.1 pp 170.96 69.96 0.0 OUTLIER 'General case' 0 CA--C 1.502 -0.883 0 O-C-N 128.103 3.377 . . . . 10.0 111.347 -179.984 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 91.1 t -66.58 97.31 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.487 -1.448 1 CA-C-N 108.004 -4.18 . . . . 10.0 113.417 -179.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.413 ' HB2' ' HB ' ' A' ' 87' ' ' VAL . 0.5 OUTLIER -110.48 140.01 45.15 Favored 'General case' 0 C--O 1.21 -1.004 0 N-CA-C 104.044 -2.576 . . . . 10.0 104.044 -179.961 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -136.18 129.26 46.67 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 1 O-C-N 131.163 5.289 . . . . 10.0 111.479 179.846 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -96.85 172.86 7.61 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 125.895 2.76 . . . . 10.0 114.32 -179.712 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.412 ' HA ' ' H ' ' A' ' 103' ' ' GLU . 16.2 mmtp -146.87 -179.21 6.64 Favored 'General case' 0 C--O 1.196 -1.731 0 CA-C-N 109.036 -3.711 . . . . 10.0 108.77 -179.861 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 119.7 -78.85 0.31 Allowed Glycine 0 C--O 1.205 -1.658 0 CA-C-O 125.036 2.465 . . . . 10.0 107.949 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -137.05 20.19 3.0 Favored 'General case' 0 C--O 1.21 -0.988 1 CA-C-N 107.607 -4.297 . . . . 10.0 108.704 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mptt -115.03 -58.29 2.16 Favored 'General case' 0 C--O 1.209 -1.074 0 CA-C-O 125.456 2.551 . . . . 10.0 111.544 -179.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.412 ' H ' ' HA ' ' A' ' 99' ' ' LYS . 2.0 mt-10 72.08 -53.49 0.69 Allowed 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 109.706 -3.406 . . . . 10.0 117.192 179.575 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -127.16 75.31 1.57 Allowed 'General case' 0 N--CA 1.476 0.864 0 O-C-N 126.716 2.51 . . . . 10.0 105.03 179.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.415 ' HG3' ' CB ' ' A' ' 122' ' ' CYS . 21.2 ttt-85 -135.2 82.34 1.95 Allowed 'General case' 0 C--O 1.212 -0.876 0 O-C-N 125.722 1.889 . . . . 10.0 109.583 179.883 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -132.78 164.05 24.1 Favored Glycine 0 N--CA 1.432 -1.571 1 O-C-N 131.307 5.379 . . . . 10.0 115.882 179.976 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.755 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -125.55 141.57 51.97 Favored 'General case' 0 C--O 1.212 -0.881 1 O-C-N 130.939 4.552 . . . . 10.0 116.37 -179.894 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.07 70.13 0.87 Allowed 'General case' 0 N--CA 1.429 -1.482 0 O-C-N 127.593 3.058 . . . . 10.0 115.368 -179.682 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.995 ' HG2' HD13 ' A' ' 118' ' ' LEU 0.319 0.6 OUTLIER -82.11 114.84 20.92 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 113.262 -3.256 . . . . 10.0 106.201 -179.767 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.735 ' CB ' HG23 ' A' ' 93' ' ' THR 0.251 0.2 OUTLIER -117.57 2.08 12.33 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 127.122 2.763 . . . . 10.0 116.094 179.796 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' A' ' 116' ' ' LEU . 22.1 t 50.86 111.24 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.38 0 N-CA-C 119.157 3.021 . . . . 10.0 119.157 179.773 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -106.85 -33.92 7.4 Favored 'General case' 0 CA--C 1.494 -1.185 0 CA-C-N 113.331 -1.758 . . . . 10.0 113.307 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 108.93 118.19 4.12 Favored Glycine 0 C--O 1.215 -1.034 0 C-N-CA 123.95 0.786 . . . . 10.0 111.468 179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 37.6 53.05 1.4 Allowed 'General case' 0 C--O 1.205 -1.252 0 C-N-CA 126.283 1.833 . . . . 10.0 113.799 -179.994 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HE2' ' CA ' ' A' ' 115' ' ' LYS . 0.0 OUTLIER 151.0 104.25 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.895 2 O-C-N 130.364 4.79 . . . . 10.0 103.659 179.856 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 111' ' ' VAL . 0.2 OUTLIER -110.05 161.23 15.73 Favored 'General case' 0 CA--C 1.494 -1.197 1 O-C-N 131.13 5.268 . . . . 10.0 111.582 179.885 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB3' ' CH2' ' A' ' 110' ' ' TRP . 0.1 OUTLIER -131.36 87.54 2.48 Favored 'General case' 0 C--O 1.199 -1.554 0 O-C-N 127.58 3.05 . . . . 10.0 112.584 179.932 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.995 HD13 ' HG2' ' A' ' 109' ' ' GLN . 24.4 tp -86.89 145.45 26.56 Favored 'General case' 0 N--CA 1.48 1.025 1 CA-C-N 107.979 -4.191 . . . . 10.0 106.779 179.375 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -126.66 110.5 13.24 Favored 'General case' 0 CA--C 1.482 -1.67 0 O-C-N 125.301 1.626 . . . . 10.0 111.828 -178.972 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.649 HD12 ' CE1' ' A' ' 20' ' ' TYR . 0.2 OUTLIER -88.86 130.11 35.47 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 128.915 3.885 . . . . 10.0 107.875 -179.781 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 25.2 p -113.65 19.3 16.89 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 112.37 -2.196 . . . . 10.0 109.102 179.952 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.415 ' CB ' ' HG3' ' A' ' 105' ' ' ARG . 16.9 p -66.2 148.59 51.61 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.862 0.839 . . . . 10.0 111.753 -179.94 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 83.7 -145.31 22.67 Favored Glycine 0 CA--C 1.528 0.888 0 CA-C-O 124.729 2.294 . . . . 10.0 114.26 -179.73 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -94.92 -51.16 4.79 Favored 'General case' 0 CA--C 1.508 -0.672 0 CA-C-N 112.561 -1.819 . . . . 10.0 107.433 179.943 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -90.82 -176.05 4.56 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 127.277 2.861 . . . . 10.0 105.028 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 43.3 t -118.55 140.09 43.46 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.605 0 C-N-CA 127.583 2.353 . . . . 10.0 115.322 -179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 2.0 m -113.99 -161.41 0.76 Allowed 'General case' 0 CA--C 1.497 -1.083 0 N-CA-C 108.439 -0.948 . . . . 10.0 108.439 179.871 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.495 ' HB3' ' CG ' ' A' ' 15' ' ' GLU . 11.8 ttm180 -150.59 132.01 14.68 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 125.839 1.962 . . . . 10.0 110.879 179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.652 ' HB2' ' HG ' ' A' ' 118' ' ' LEU . 11.6 mp0 -99.87 98.5 9.28 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 127.038 2.711 . . . . 10.0 110.36 -179.73 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.527 ' N ' ' HB3' ' A' ' 13' ' ' SER . 50.9 t -92.49 63.08 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.829 0 CA-C-O 124.593 2.139 . . . . 10.0 112.655 -177.767 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.533 ' CE1' ' HG2' ' A' ' 11' ' ' MET 0.331 4.2 m-85 -67.97 178.52 1.77 Allowed 'General case' 0 CA--C 1.502 -0.88 0 CA-C-N 112.785 -2.007 . . . . 10.0 109.444 177.751 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.421 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.334 0.0 OUTLIER 172.07 151.06 0.06 Allowed 'General case' 0 N--CA 1.483 1.199 0 CA-C-O 112.871 -3.442 . . . . 10.0 107.201 179.737 . . . . . . . . 4 4 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.635 ' O ' ' HB3' ' A' ' 134' ' ' LYS . 6.4 tttt 141.77 -104.19 0.0 OUTLIER 'General case' 0 C--O 1.199 -1.563 1 O-C-N 134.686 7.491 . . . . 10.0 115.373 179.437 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.635 ' HB3' ' O ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.152 1 O-C-N 129.477 4.235 . . . . 10.0 111.818 177.918 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.757 ' C8 ' H161 ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.058 0 CA-C-O 121.801 0.81 . . . . 10.0 109.901 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.27 169.06 10.94 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 113.901 -1.499 . . . . 10.0 109.552 179.989 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.484 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 0.0 OUTLIER -165.79 -37.49 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 118.567 2.803 . . . . 10.0 118.567 -179.939 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 2.1 m-20 65.34 67.94 0.5 Allowed 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 106.491 -1.67 . . . . 10.0 106.491 179.975 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.55 HE22 HD13 ' A' ' 43' ' ' ILE . 2.8 mm100 -76.54 -60.85 2.17 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-O 115.453 -2.213 . . . . 10.0 105.505 -179.853 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -37.76 91.35 0.0 OUTLIER 'General case' 0 C--O 1.214 -0.812 0 O-C-N 127.045 2.716 . . . . 10.0 112.989 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.26 178.84 40.07 Favored Glycine 0 C--O 1.198 -2.147 0 CA-C-N 112.852 -1.976 . . . . 10.0 114.446 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.537 ' C ' ' CG ' ' A' ' 9' ' ' TRP . 19.9 m -110.2 154.11 23.84 Favored 'General case' 0 C--O 1.207 -1.172 1 O-C-N 130.281 4.165 . . . . 10.0 104.146 -179.646 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.656 ' CZ2' HD12 ' A' ' 43' ' ' ILE 0.257 0.0 OUTLIER -160.69 63.53 0.31 Allowed 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 111.397 -2.638 . . . . 10.0 111.891 -179.419 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . 0.265 1.3 mm-40 -46.05 111.9 0.42 Allowed 'General case' 0 C--O 1.218 -0.569 0 O-C-N 126.293 2.246 . . . . 10.0 108.09 179.346 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 39' ' ' GLN . 22.0 mtt -46.15 166.79 0.02 OUTLIER 'General case' 0 N--CA 1.444 -0.772 0 C-N-CA 129.171 2.989 . . . . 10.0 109.929 -179.562 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.566 ' HA ' HG22 ' A' ' 38' ' ' THR . 0.8 OUTLIER -132.0 -61.64 0.88 Allowed 'General case' 0 C--N 1.318 -0.777 1 O-C-N 129.915 4.509 . . . . 10.0 105.63 179.092 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.26 -179.8 2.02 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 108.455 -3.975 . . . . 10.0 112.065 179.462 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -132.98 138.16 46.77 Favored 'General case' 0 C--O 1.201 -1.449 2 O-C-N 131.274 5.359 . . . . 10.0 112.52 179.837 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.0 162.95 13.16 Favored 'General case' 0 CA--C 1.509 -0.627 0 O-C-N 128.051 3.344 . . . . 10.0 108.017 -179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.1 m120 50.4 46.5 25.15 Favored 'General case' 0 C--O 1.198 -1.656 0 O-C-N 124.629 1.205 . . . . 10.0 109.506 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.58 ' CD1' HG22 ' A' ' 35' ' ' VAL . 0.5 OUTLIER -37.85 -35.13 0.13 Allowed 'General case' 0 C--O 1.21 -1.008 0 O-C-N 128.277 3.486 . . . . 10.0 112.258 -179.791 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.308 21.8 mt-10 -58.05 -39.76 79.26 Favored 'General case' 0 N--CA 1.434 -1.237 0 N-CA-C 118.352 2.723 . . . . 10.0 118.352 179.7 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -79.46 -24.94 59.87 Favored Glycine 0 N--CA 1.485 1.949 0 C-N-CA 116.924 -2.56 . . . . 10.0 107.095 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -61.43 -38.42 87.09 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-O 125.206 2.432 . . . . 10.0 109.519 179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.616 ' HE1' ' HB ' ' A' ' 30' ' ' THR 0.268 10.8 tpp -73.35 -47.79 39.49 Favored 'General case' 0 CA--C 1.486 -1.513 0 CA-C-N 111.169 -2.741 . . . . 10.0 111.585 -179.792 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 19.7 ttpt -56.92 -24.61 53.68 Favored 'General case' 0 C--O 1.213 -0.859 0 O-C-N 128.182 3.426 . . . . 10.0 116.342 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.612 ' C ' HD23 ' A' ' 24' ' ' LEU . . . -61.31 -24.16 66.23 Favored 'General case' 0 C--O 1.214 -0.792 0 CA-C-N 111.573 -2.558 . . . . 10.0 113.397 179.557 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.612 HD23 ' C ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -136.75 -162.08 1.24 Allowed 'General case' 0 N--CA 1.466 0.328 1 CA-C-N 106.486 -4.87 . . . . 10.0 104.186 -179.938 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -158.06 61.95 0.46 Allowed 'General case' 0 CA--C 1.487 -1.467 1 CA-C-O 130.584 4.992 . . . . 10.0 107.227 -179.969 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' ASP . 2.6 tp -82.48 -32.93 10.7 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 CA-C-N 107.894 -4.23 . . . . 10.0 114.125 -179.07 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.444 ' CB ' ' O ' ' A' ' 26' ' ' ILE . 37.7 t70 130.19 147.5 0.0 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 O-C-N 126.577 2.423 . . . . 10.0 110.351 179.156 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -56.88 -20.12 21.38 Favored 'General case' 0 CA--C 1.5 -0.946 0 N-CA-C 117.405 2.372 . . . . 10.0 117.405 179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.12 -39.37 89.76 Favored 'General case' 0 C--N 1.36 1.056 0 C-N-CA 125.018 1.327 . . . . 10.0 111.679 -179.672 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.616 ' HB ' ' HE1' ' A' ' 21' ' ' MET . 0.8 OUTLIER -49.39 -52.83 25.89 Favored 'General case' 0 C--O 1.218 -0.59 0 N-CA-C 117.867 2.543 . . . . 10.0 117.867 -179.923 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.525 ' N ' HG22 ' A' ' 30' ' ' THR . 0.0 OUTLIER -70.9 -30.55 66.93 Favored 'General case' 0 CA--C 1.503 -0.83 1 O-C-N 132.097 5.873 . . . . 10.0 110.837 179.855 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 5.2 tmtt? -71.9 -35.5 69.74 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 127.189 2.806 . . . . 10.0 110.057 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.628 HD13 ' CD1' ' A' ' 58' ' ' PHE . 30.5 mt -78.6 -40.21 23.9 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.722 0 O-C-N 128.768 3.793 . . . . 10.0 108.01 179.612 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.85 -25.27 62.75 Favored 'General case' 0 C--O 1.211 -0.944 0 CA-C-O 127.304 3.43 . . . . 10.0 110.587 -179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.58 HG22 ' CD1' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -59.88 -30.0 44.35 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 CA-C-N 112.17 -2.286 . . . . 10.0 112.607 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.49 -20.14 7.91 Favored 'General case' 0 N--CA 1.44 -0.964 0 CA-C-N 111.277 -2.692 . . . . 10.0 115.073 -179.736 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.643 HD13 ' HG2' ' A' ' 39' ' ' GLN . 0.1 OUTLIER -54.17 138.67 37.69 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 128.204 3.44 . . . . 10.0 109.558 -179.723 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.566 HG22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -121.51 33.87 5.38 Favored 'General case' 0 C--N 1.309 -1.186 1 O-C-N 132.131 5.895 . . . . 10.0 110.19 179.244 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.643 ' HG2' HD13 ' A' ' 37' ' ' LEU . 21.6 mm100 -48.44 174.15 0.01 OUTLIER 'General case' 0 C--O 1.209 -1.058 0 N-CA-C 117.26 2.318 . . . . 10.0 117.26 -179.653 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 17.9 m -117.34 123.9 47.63 Favored 'General case' 0 N--CA 1.433 -1.324 0 O-C-N 128.59 3.681 . . . . 10.0 113.98 179.993 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HE3' ' CG1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.99 141.2 30.03 Favored 'General case' 0 N--CA 1.491 1.608 1 O-C-N 129.273 4.108 . . . . 10.0 106.564 179.901 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.479 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -147.58 132.59 10.94 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.362 0 CA-C-O 123.613 1.673 . . . . 10.0 112.161 -179.549 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.656 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.349 24.6 mt -93.71 164.18 2.13 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.94 0 CA-C-N 110.502 -3.045 . . . . 10.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 11.7 p -165.19 118.41 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.195 -1.767 0 C-N-CA 115.649 -2.42 . . . . 10.0 109.638 179.801 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HB3' ' CB ' ' A' ' 50' ' ' PHE . 4.6 pt20 -147.58 164.98 31.77 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 119.548 3.166 . . . . 10.0 119.548 -179.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -124.9 9.09 8.14 Favored 'General case' 0 CA--C 1.482 -1.664 1 CA-C-N 106.976 -4.647 . . . . 10.0 113.688 -179.793 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.41 122.07 4.78 Favored Glycine 0 C--N 1.346 1.115 0 CA-C-O 118.451 -1.194 . . . . 10.0 115.948 179.764 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 78.05 2.18 2.81 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 127.123 2.307 . . . . 10.0 116.812 179.934 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -161.68 165.8 27.64 Favored 'General case' 0 C--O 1.24 0.581 1 O-C-N 129.105 4.003 . . . . 10.0 110.69 -179.873 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.477 ' CB ' ' HB3' ' A' ' 45' ' ' GLN 0.292 0.0 OUTLIER -167.33 178.15 5.7 Favored 'General case' 0 CA--C 1.499 -0.997 1 O-C-N 129.744 4.402 . . . . 10.0 117.647 179.853 . . . . . . . . 5 4 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.5 111.84 2.65 Favored 'General case' 0 CA--C 1.481 -1.695 0 N-CA-C 112.863 0.69 . . . . 10.0 112.863 -179.856 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.485 ' CG2' ' CB ' ' A' ' 63' ' ' LEU 0.272 7.9 t -135.89 156.46 48.75 Favored 'General case' 0 CA--C 1.489 -1.396 0 O-C-N 126.994 2.684 . . . . 10.0 113.857 -179.934 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB3' ' HB3' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -161.81 148.06 13.79 Favored 'General case' 0 C--O 1.207 -1.154 0 O-C-N 126.099 2.124 . . . . 10.0 108.78 179.978 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -88.05 161.63 17.25 Favored 'General case' 0 C--N 1.325 -0.47 1 O-C-N 130.878 5.111 . . . . 10.0 112.647 -179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.47 21.87 11.95 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-O 116.332 -1.794 . . . . 10.0 114.947 179.863 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' ' HG3' ' A' ' 39' ' ' GLN . 1.0 OUTLIER -60.65 140.52 57.42 Favored 'General case' 0 C--N 1.312 -1.032 0 O-C-N 128.128 3.392 . . . . 10.0 110.681 -179.872 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -58.41 -56.29 24.01 Favored 'General case' 0 N--CA 1.483 1.206 2 O-C-N 131.75 5.656 . . . . 10.0 104.678 -179.622 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.628 ' CD1' HD13 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -46.39 -65.4 0.56 Allowed 'General case' 0 C--N 1.349 0.576 0 N-CA-C 116.751 2.13 . . . . 10.0 116.751 -179.991 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.06 141.59 31.33 Favored 'General case' 0 C--N 1.351 0.632 0 C-N-CA 115.406 -2.517 . . . . 10.0 114.321 -179.748 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -96.62 122.13 39.21 Favored 'General case' 0 C--O 1.208 -1.092 0 O-C-N 128.736 3.772 . . . . 10.0 106.543 -179.997 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 64.7 t80 -145.48 145.13 30.96 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 127.767 3.167 . . . . 10.0 112.846 -179.726 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.418 ' HB3' ' HB3' ' A' ' 53' ' ' LYS . 19.1 p30 -121.42 169.15 10.91 Favored 'General case' 0 C--O 1.203 -1.344 0 O-C-N 127.555 3.034 . . . . 10.0 114.585 179.652 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.485 ' CB ' ' CG2' ' A' ' 52' ' ' THR . 0.2 OUTLIER -121.24 45.14 2.35 Favored 'General case' 0 C--O 1.215 -0.733 0 N-CA-C 115.318 1.599 . . . . 10.0 115.318 179.866 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.77 127.41 31.84 Favored 'General case' 0 CA--C 1.491 -1.323 0 CA-C-N 114.526 -1.216 . . . . 10.0 108.306 -179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.559 ' CE1' ' CG2' ' A' ' 87' ' ' VAL . 0.1 OUTLIER -179.27 148.65 0.37 Allowed 'General case' 0 N--CA 1.486 1.341 1 CA-C-O 129.483 4.468 . . . . 10.0 110.282 -179.954 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.2 m -91.6 120.16 32.14 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 111.258 -2.701 . . . . 10.0 109.178 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.542 ' HA ' ' CE1' ' A' ' 65' ' ' PHE . 10.7 t -64.5 133.67 29.83 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.646 1 O-C-N 130.74 5.025 . . . . 10.0 116.016 -179.931 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.4 -2.32 62.7 Favored Glycine 0 N--CA 1.484 1.892 0 CA-C-N 112.158 -2.292 . . . . 10.0 114.981 -179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' O ' HG12 ' A' ' 69' ' ' VAL . 2.6 t -123.67 99.69 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 N-CA-C 103.602 -2.74 . . . . 10.0 103.602 179.938 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . 0.265 0.0 OUTLIER -46.23 142.65 2.77 Favored 'General case' 0 C--N 1.358 0.964 1 O-C-N 129.849 4.468 . . . . 10.0 114.979 179.954 . . . . . . . . 4 3 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -143.03 115.89 8.77 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 128.957 3.911 . . . . 10.0 116.627 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.75 71.34 0.21 Allowed 'General case' 0 CA--C 1.481 -1.677 0 CA-C-N 113.515 -1.675 . . . . 10.0 111.248 179.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -95.39 -171.62 2.44 Favored 'General case' 0 CA--C 1.494 -1.195 0 CA-C-O 125.855 2.74 . . . . 10.0 107.926 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -166.44 -176.61 3.67 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 112.302 -2.227 . . . . 10.0 115.058 179.92 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 80' ' ' GLY . 4.0 p -122.1 53.64 1.21 Allowed 'General case' 0 C--O 1.205 -1.261 0 N-CA-C 116.029 1.862 . . . . 10.0 116.029 -179.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.424 ' HA ' ' HA2' ' A' ' 80' ' ' GLY . 20.7 mtpt -83.38 3.44 31.74 Favored 'General case' 0 C--O 1.218 -0.57 0 CA-C-O 124.407 2.051 . . . . 10.0 116.367 -179.753 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.23 8.01 56.98 Favored Glycine 0 C--N 1.338 0.664 0 CA-C-N 111.522 -2.581 . . . . 10.0 109.194 -179.944 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 H172 ' A' ' 135' ' ' RTL . 0.2 OUTLIER -136.78 -72.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.587 0 O-C-N 129.089 3.464 . . . . 10.0 114.602 179.972 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -121.75 -49.02 2.13 Favored 'General case' 0 C--N 1.343 0.319 0 CA-C-O 123.899 1.809 . . . . 10.0 110.725 -179.766 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.424 ' HA2' ' HA ' ' A' ' 76' ' ' LYS . . . 107.24 67.06 0.64 Allowed Glycine 0 CA--C 1.487 -1.717 0 C-N-CA 126.318 1.913 . . . . 10.0 115.18 -179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' O ' HG13 ' A' ' 83' ' ' VAL . 0.0 OUTLIER -110.2 99.68 8.7 Favored 'General case' 0 C--N 1.362 1.136 0 CA-C-N 109.856 -3.172 . . . . 10.0 114.79 179.993 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -65.0 125.19 24.13 Favored 'General case' 0 C--O 1.198 -1.614 0 CA-C-N 113.028 -1.897 . . . . 10.0 114.585 179.87 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.449 ' HB ' ' HG2' ' A' ' 98' ' ' GLN . 14.4 m -134.91 162.89 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.413 0 CA-C-N 111.518 -2.583 . . . . 10.0 117.16 179.805 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.0 OUTLIER -122.22 76.02 1.28 Allowed 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 113.08 -1.873 . . . . 10.0 112.784 -179.862 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.8 m -54.55 135.34 46.2 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 111.12 -2.763 . . . . 10.0 117.504 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.6 tt -143.73 110.79 5.72 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 125.261 2.458 . . . . 10.0 111.212 179.77 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.559 ' CG2' ' CE1' ' A' ' 65' ' ' PHE . 25.5 t -114.96 143.92 23.64 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.81 0 CA-C-O 124.292 1.996 . . . . 10.0 112.252 179.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 33.5 p -149.26 129.17 13.39 Favored 'General case' 0 CA--C 1.487 -1.463 0 CA-C-N 111.837 -2.438 . . . . 10.0 111.37 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.436 ' CZ3' ' HE2' ' A' ' 3' ' ' LYS . 72.5 m95 -64.36 152.46 41.26 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.764 -2.31 . . . . 10.0 104.764 -179.912 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -149.08 22.84 0.96 Allowed 'General case' 0 C--O 1.196 -1.763 1 O-C-N 129.573 4.296 . . . . 10.0 117.448 -179.942 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.54 89.83 2.12 Favored Glycine 0 C--N 1.36 1.865 1 N-CA-C 102.169 -4.372 . . . . 10.0 102.169 -179.83 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.481 ' N ' ' ND2' ' A' ' 92' ' ' ASN . 0.0 OUTLIER 52.8 31.91 11.36 Favored 'General case' 0 C--O 1.21 -1.018 0 C-N-CA 128.693 2.797 . . . . 10.0 109.804 -179.975 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.622 HG23 ' CB ' ' A' ' 110' ' ' TRP . 0.2 OUTLIER -118.78 -149.42 0.44 Allowed 'General case' 0 C--N 1.348 0.53 0 CA-C-O 114.828 -2.51 . . . . 10.0 113.424 -179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.584 HD23 ' O ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 161.81 56.98 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.421 0 O-C-N 128.787 3.804 . . . . 10.0 111.439 180.0 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 98.9 t -53.02 103.16 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.361 1.093 0 CA-C-N 111.047 -2.797 . . . . 10.0 118.413 -179.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.515 ' C ' HG22 ' A' ' 97' ' ' VAL . 6.8 t -89.12 156.61 18.71 Favored 'General case' 0 C--O 1.207 -1.159 1 O-C-N 129.841 4.463 . . . . 10.0 103.886 179.976 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.515 HG22 ' C ' ' A' ' 96' ' ' CYS . 0.0 OUTLIER -162.53 99.32 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.31 -1.152 0 O-C-N 126.706 2.504 . . . . 10.0 111.252 179.856 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.449 ' HG2' ' HB ' ' A' ' 83' ' ' VAL . 22.9 mt-30 -77.14 149.51 35.63 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-O 126.167 2.889 . . . . 10.0 112.43 -179.786 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.441 ' HA ' ' HA ' ' A' ' 103' ' ' GLU . 17.6 mmtp -124.84 -167.24 1.64 Allowed 'General case' 0 CA--C 1.498 -1.024 0 CA-C-N 108.795 -3.82 . . . . 10.0 112.14 179.983 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 103.7 -89.77 0.71 Allowed Glycine 0 CA--C 1.532 1.124 0 CA-C-O 126.707 3.393 . . . . 10.0 108.673 179.842 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -113.19 -2.22 14.16 Favored 'General case' 0 N--CA 1.44 -0.968 1 CA-C-N 106.974 -4.613 . . . . 10.0 111.918 -179.855 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -103.54 -65.19 1.02 Allowed 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 116.11 1.892 . . . . 10.0 116.11 179.829 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' HA ' ' HA ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER 61.64 9.02 2.57 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 111.489 -2.596 . . . . 10.0 117.81 179.967 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -172.95 54.41 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.534 0 O-C-N 128.478 3.611 . . . . 10.0 108.521 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 58.6 ttt-85 -129.32 96.34 4.27 Favored 'General case' 0 C--O 1.208 -1.099 0 O-C-N 126.856 2.597 . . . . 10.0 109.666 -179.896 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 96' ' ' CYS . . . -137.64 179.03 18.62 Favored Glycine 0 CA--C 1.538 1.482 1 O-C-N 130.592 4.933 . . . . 10.0 115.295 179.921 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.68 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 121.72 22.39 Favored 'General case' 0 N--CA 1.424 -1.74 1 O-C-N 133.008 5.769 . . . . 10.0 115.551 -179.878 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HB2' ' HB2' ' A' ' 119' ' ' GLU . 8.4 mttp -101.92 64.56 0.96 Allowed 'General case' 0 C--O 1.21 -1.019 0 CA-C-O 126.802 3.191 . . . . 10.0 109.432 178.978 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 -78.59 53.12 1.27 Allowed 'General case' 0 CA--C 1.493 -1.228 1 CA-C-N 107.157 -4.565 . . . . 10.0 111.048 -178.743 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.622 ' CB ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -77.08 133.12 39.14 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 112.611 -3.636 . . . . 10.0 109.558 178.721 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 88.6 t -88.56 153.45 3.26 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.857 0 CA-C-O 127.748 3.642 . . . . 10.0 120.335 -179.272 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -138.22 -172.31 3.24 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-N 109.57 -3.468 . . . . 10.0 109.523 179.785 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -78.55 113.34 3.67 Favored Glycine 0 C--O 1.217 -0.943 0 C-N-CA 120.592 -0.813 . . . . 10.0 114.596 -179.914 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 61.2 m-20 39.69 32.51 0.1 Allowed 'General case' 0 C--O 1.216 -0.693 0 N-CA-C 117.27 2.322 . . . . 10.0 117.27 -179.994 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.53 97.87 0.14 Allowed 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 128.1 3.375 . . . . 10.0 110.139 -179.816 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.4 pp -111.18 143.98 41.05 Favored 'General case' 0 C--O 1.198 -1.64 0 O-C-N 124.807 1.317 . . . . 10.0 111.701 179.96 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.501 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 0.7 OUTLIER -97.45 82.05 3.06 Favored 'General case' 0 C--O 1.213 -0.816 2 O-C-N 130.982 5.176 . . . . 10.0 115.754 -179.921 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.68 HD11 ' CB ' ' A' ' 107' ' ' TRP . 23.0 tp -71.0 101.14 2.12 Favored 'General case' 0 N--CA 1.48 1.048 1 CA-C-N 107.251 -4.522 . . . . 10.0 107.545 179.829 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.47 ' HB2' ' HB2' ' A' ' 108' ' ' LYS . 3.5 mt-10 -84.45 134.05 34.47 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 105.904 -1.887 . . . . 10.0 105.904 -179.769 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.518 ' O ' HG23 ' A' ' 121' ' ' THR . 0.0 OUTLIER -107.94 173.86 6.13 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 126.185 2.178 . . . . 10.0 106.489 179.713 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 120' ' ' LEU . 12.9 p -151.66 148.23 27.7 Favored 'General case' 0 C--O 1.206 -1.2 0 CA-C-N 111.2 -2.727 . . . . 10.0 104.984 179.813 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 124' ' ' ASP 0.302 0.0 OUTLIER -179.39 147.94 0.34 Allowed 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 118.113 -1.435 . . . . 10.0 111.485 -179.735 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . . . . . . . . . . . 21.26 43.22 0.01 OUTLIER Glycine 0 C--O 1.222 -0.649 1 O-C-N 129.447 4.217 . . . . 10.0 114.312 -179.765 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 122' ' ' CYS . 5.2 m-20 48.12 76.82 0.11 Allowed 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 109.094 -3.553 . . . . 10.0 110.972 -179.36 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.547 ' C ' HG23 ' A' ' 126' ' ' VAL . 1.6 tm0? -152.59 -53.88 0.12 Allowed 'General case' 0 N--CA 1.49 1.568 1 O-C-N 129.342 4.151 . . . . 10.0 105.694 179.359 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.547 HG23 ' C ' ' A' ' 125' ' ' GLN . 10.7 t 97.39 141.55 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.478 -1.823 2 O-C-N 131.491 5.494 . . . . 10.0 119.933 175.711 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -138.38 157.14 46.8 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 119.515 -1.991 . . . . 10.0 107.441 178.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -119.28 134.18 55.35 Favored 'General case' 0 CA--C 1.499 -0.992 0 C-N-CA 118.955 -1.098 . . . . 10.0 112.516 179.826 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.619 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 0.0 OUTLIER -104.11 133.91 48.26 Favored 'General case' 0 CA--C 1.505 -0.761 0 C-N-CA 119.531 -0.868 . . . . 10.0 112.53 -179.92 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 5.0 t -114.21 100.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-O 128.177 3.846 . . . . 10.0 107.972 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.619 ' CE1' ' HG2' ' A' ' 129' ' ' GLN . 2.6 m-30 -105.59 160.85 14.87 Favored 'General case' 0 CA--C 1.502 -0.891 1 CA-C-N 106.387 -4.915 . . . . 10.0 111.199 179.821 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.401 ' O ' ' HA ' ' A' ' 9' ' ' TRP 0.326 17.9 mtmt -148.16 171.52 15.77 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 113.9 -2.952 . . . . 10.0 105.11 179.905 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.471 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 0.0 OUTLIER 90.78 -164.36 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.212 1 O-C-N 133.586 6.803 . . . . 10.0 116.896 -179.963 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.451 ' N ' ' CD ' ' A' ' 134' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.491 -1.314 0 N-CA-C 116.562 2.06 . . . . 10.0 116.562 -179.941 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.827 H172 HD21 ' A' ' 78' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 123.656 1.693 . . . . 10.0 109.868 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.28 -73.42 0.69 Allowed 'General case' 0 C--O 1.2 -1.51 0 CA-C-N 114.289 -1.323 . . . . 10.0 109.713 -179.876 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 92' ' ' ASN . 0.0 OUTLIER -156.1 21.09 0.37 Allowed 'General case' 0 CA--C 1.502 -0.903 0 O-C-N 127.784 3.177 . . . . 10.0 117.802 -179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -59.55 107.83 0.64 Allowed 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 103.045 -2.946 . . . . 10.0 103.045 179.87 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.436 ' HG3' HD22 ' A' ' 94' ' ' LEU . 68.7 mm-40 -68.64 -59.28 3.24 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 113.641 -3.076 . . . . 10.0 106.654 -179.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -16.73 102.49 0.02 OUTLIER 'General case' 0 C--O 1.214 -0.801 1 O-C-N 130.678 4.987 . . . . 10.0 111.505 179.831 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.97 -144.94 4.05 Favored Glycine 0 C--O 1.206 -1.615 0 CA-C-O 115.736 -2.702 . . . . 10.0 109.451 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.618 ' HA ' ' HB ' ' A' ' 42' ' ' ILE . 9.0 m -152.32 158.36 42.65 Favored 'General case' 0 C--O 1.202 -1.427 1 O-C-N 131.57 4.923 . . . . 10.0 103.924 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . 0.676 ' CZ2' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -179.42 89.82 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.667 0 O-C-N 128.046 3.341 . . . . 10.0 117.906 -178.622 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' HG2' HG23 ' A' ' 40' ' ' THR 0.273 15.0 mt-10 -69.5 132.85 46.94 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 126.861 2.601 . . . . 10.0 106.836 178.733 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.486 ' HG2' ' CE1' ' A' ' 131' ' ' PHE . 24.2 mtt -72.4 154.58 40.83 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 115.933 -1.984 . . . . 10.0 109.046 -179.666 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' HG3' ' HG2' ' A' ' 132' ' ' LYS . 7.3 mt-10 -99.21 -61.41 1.37 Allowed 'General case' 0 C--O 1.202 -1.434 1 O-C-N 130.947 5.154 . . . . 10.0 105.185 179.934 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.0 m -165.0 -178.32 5.11 Favored 'General case' 0 N--CA 1.432 -1.325 1 CA-C-N 106.683 -4.781 . . . . 10.0 109.802 179.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -140.99 152.8 45.21 Favored 'General case' 0 C--N 1.31 -1.134 0 CA-C-N 111.182 -2.735 . . . . 10.0 109.33 179.45 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -100.54 -175.43 2.91 Favored 'General case' 0 C--O 1.215 -0.716 1 O-C-N 130.451 4.845 . . . . 10.0 107.933 -179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 31.86 48.83 0.11 Allowed 'General case' 0 C--O 1.213 -0.827 0 O-C-N 126.467 2.354 . . . . 10.0 109.414 -179.891 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 1.044 ' CD2' HG22 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -35.69 -34.65 0.05 OUTLIER 'General case' 0 C--O 1.212 -0.878 0 O-C-N 127.63 3.082 . . . . 10.0 112.422 -179.177 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . 0.255 42.5 mt-10 -55.16 -40.06 70.2 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 117.919 2.563 . . . . 10.0 117.919 179.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.414 ' HA2' ' HB3' ' A' ' 22' ' ' LYS . . . -78.24 -25.52 61.43 Favored Glycine 0 CA--C 1.487 -1.701 0 N-CA-C 107.642 -2.183 . . . . 10.0 107.642 179.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.5 ' OH ' H192 ' A' ' 135' ' ' RTL . 0.3 OUTLIER -61.57 -40.36 94.47 Favored 'General case' 0 C--O 1.206 -1.204 0 O-C-N 118.376 -2.838 . . . . 10.0 108.568 179.885 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -79.57 -19.92 48.23 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 111.286 -2.688 . . . . 10.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -79.79 -20.47 46.1 Favored 'General case' 0 C--O 1.2 -1.529 0 O-C-N 126.665 2.478 . . . . 10.0 114.479 -179.932 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 101' ' ' GLU . . . -71.8 -29.37 64.37 Favored 'General case' 0 C--O 1.204 -1.318 2 O-C-N 131.44 5.463 . . . . 10.0 110.649 179.297 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.811 HD12 HG12 ' A' ' 26' ' ' ILE 0.289 0.5 OUTLIER -173.48 108.94 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 2 O-C-N 130.34 4.775 . . . . 10.0 110.425 179.859 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.17 82.24 5.35 Favored 'General case' 0 C--O 1.198 -1.623 0 CA-C-N 110.254 -3.157 . . . . 10.0 112.966 -179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.811 HG12 HD12 ' A' ' 24' ' ' LEU . 1.1 mm -66.65 -52.96 39.96 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 1 CA-C-N 108.245 -4.071 . . . . 10.0 108.22 179.787 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.07 173.14 0.12 Allowed 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 110.297 -3.138 . . . . 10.0 109.205 -179.826 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -71.43 -20.06 62.16 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 126.606 2.441 . . . . 10.0 114.245 -179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.728 ' O ' HD13 ' A' ' 33' ' ' ILE . . . -74.98 -38.51 61.63 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 113.228 -1.805 . . . . 10.0 111.589 179.669 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.752 HG21 HG13 ' A' ' 26' ' ' ILE . 28.6 m -54.01 -40.29 66.85 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 117.202 2.297 . . . . 10.0 117.202 -179.682 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.0 OUTLIER -79.48 -38.64 34.03 Favored 'General case' 0 CA--C 1.504 -0.8 0 CA-C-O 115.369 -2.253 . . . . 10.0 110.952 179.922 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 15.5 ttpt -75.22 -25.11 57.89 Favored 'General case' 0 C--O 1.205 -1.255 0 O-C-N 128.911 3.882 . . . . 10.0 110.661 -179.464 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 29' ' ' ALA . 0.9 OUTLIER -76.69 -48.74 25.61 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.619 1 O-C-N 130.609 4.943 . . . . 10.0 109.636 179.69 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.442 ' N ' HG22 ' A' ' 33' ' ' ILE . . . -69.89 -20.4 63.38 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 112.229 -2.259 . . . . 10.0 110.819 -179.868 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.044 HG22 ' CD2' ' A' ' 17' ' ' PHE . 3.1 t -59.27 -52.02 65.72 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.379 0 N-CA-C 116.608 2.077 . . . . 10.0 116.608 -179.736 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -101.32 -15.41 17.26 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-N 112.376 -2.193 . . . . 10.0 115.198 -179.685 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.589 HD23 ' O ' ' A' ' 33' ' ' ILE . 0.5 OUTLIER -61.67 144.11 55.06 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-O 115.454 -2.212 . . . . 10.0 108.269 179.918 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.2 p -109.71 17.13 21.59 Favored 'General case' 0 CA--C 1.511 -0.556 1 O-C-N 131.387 5.43 . . . . 10.0 115.276 -179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -18.78 132.44 0.01 OUTLIER 'General case' 0 C--N 1.313 -1.008 0 O-C-N 128.26 3.475 . . . . 10.0 116.646 179.645 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.416 HG23 ' HG2' ' A' ' 10' ' ' GLU . 16.7 m -96.51 135.05 38.94 Favored 'General case' 0 C--O 1.198 -1.644 0 C-N-CA 127.519 2.328 . . . . 10.0 115.695 179.72 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.612 ' HD2' ' CD1' ' A' ' 9' ' ' TRP . 0.0 OUTLIER -151.75 170.75 18.99 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 128.578 3.673 . . . . 10.0 107.9 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.618 ' HB ' ' HA ' ' A' ' 8' ' ' THR . 0.1 OUTLIER -166.21 126.46 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.284 0 C-N-CA 118.625 -1.23 . . . . 10.0 111.75 179.966 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.676 HD12 ' CZ2' ' A' ' 9' ' ' TRP 0.351 27.5 mt -94.69 172.13 1.05 Allowed 'Isoleucine or valine' 0 CA--C 1.495 -1.169 0 CA-C-N 112.387 -2.188 . . . . 10.0 112.39 -179.991 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.519 ' N ' HG22 ' A' ' 43' ' ' ILE . 7.1 p -164.98 61.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.195 -1.781 0 O-C-N 126.298 2.249 . . . . 10.0 113.57 -179.816 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.457 ' CG ' ' CB ' ' A' ' 50' ' ' PHE . 29.0 mt-30 -57.61 164.78 1.86 Allowed 'General case' 0 C--O 1.206 -1.202 0 CA-C-O 125.407 2.527 . . . . 10.0 117.314 -179.74 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -153.98 21.68 0.51 Allowed 'General case' 0 CA--C 1.49 -1.346 1 CA-C-N 106.368 -4.924 . . . . 10.0 112.895 179.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.66 -24.1 31.01 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 116.938 1.535 . . . . 10.0 116.938 179.916 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.627 ' O ' HG23 ' A' ' 66' ' ' THR . 0.4 OUTLIER -173.05 35.27 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 116.058 1.873 . . . . 10.0 116.058 179.907 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 178.2 105.41 0.02 OUTLIER 'General case' 0 C--N 1.349 0.548 0 O-C-N 128.108 3.38 . . . . 10.0 109.576 179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.457 ' CB ' ' CG ' ' A' ' 45' ' ' GLN . 11.4 p90 -142.62 156.22 45.05 Favored 'General case' 0 C--N 1.316 -0.858 0 O-C-N 129.005 3.94 . . . . 10.0 117.848 179.966 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.57 144.38 46.17 Favored 'General case' 0 CA--C 1.492 -1.272 0 O-C-N 127.678 3.111 . . . . 10.0 111.599 179.769 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.425 ' HB ' HG12 ' A' ' 43' ' ' ILE 0.354 0.1 OUTLIER -152.99 116.22 4.63 Favored 'General case' 0 C--N 1.354 0.762 1 O-C-N 129.944 4.528 . . . . 10.0 113.267 -179.984 . . . . . . . . 5 4 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.26 160.71 14.18 Favored 'General case' 0 C--O 1.206 -1.228 0 O-C-N 124.68 1.238 . . . . 10.0 108.672 -179.853 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -114.36 139.74 49.22 Favored 'General case' 0 C--N 1.32 -0.696 0 O-C-N 128.89 3.869 . . . . 10.0 113.113 179.994 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 40' ' ' THR . 0.1 OUTLIER -118.57 75.97 1.06 Allowed 'General case' 0 N--CA 1.479 0.994 0 O-C-N 119.722 -1.861 . . . . 10.0 112.524 -179.958 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.497 ' CB ' H162 ' A' ' 135' ' ' RTL . 0.0 OUTLIER -118.62 112.26 19.61 Favored 'General case' 0 N--CA 1.484 1.234 1 O-C-N 131.017 5.198 . . . . 10.0 107.043 179.884 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 2.6 t -54.94 -29.23 56.04 Favored 'General case' 0 C--O 1.212 -0.896 1 O-C-N 131.3 5.375 . . . . 10.0 110.257 -179.951 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.462 ' CE1' HG12 ' A' ' 33' ' ' ILE . 0.1 OUTLIER -69.29 -55.53 10.2 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-N 112.286 -2.234 . . . . 10.0 113.014 -179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.458 ' HB2' ' C2 ' ' A' ' 135' ' ' RTL . 0.8 OUTLIER -149.53 118.14 6.56 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 110.279 -3.146 . . . . 10.0 111.042 179.992 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.6 t30 -85.81 130.2 34.62 Favored 'General case' 0 C--O 1.2 -1.513 0 O-C-N 127.779 3.174 . . . . 10.0 108.567 179.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' HB2' HD12 ' A' ' 78' ' ' LEU 0.258 20.8 t80 -153.89 155.69 36.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 109.829 -3.351 . . . . 10.0 109.826 -179.827 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -136.18 153.3 51.3 Favored 'General case' 0 C--O 1.211 -0.969 0 CA-C-N 111.626 -2.534 . . . . 10.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 63' ' ' LEU . 0.2 OUTLIER -111.57 27.17 9.92 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 117.044 2.238 . . . . 10.0 117.044 -179.915 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -44.47 113.39 0.54 Allowed 'General case' 0 C--O 1.212 -0.875 0 O-C-N 128.293 3.496 . . . . 10.0 107.714 -179.566 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -157.53 153.91 27.75 Favored 'General case' 0 CA--C 1.483 -1.607 0 CA-C-O 127.213 3.387 . . . . 10.0 112.168 -179.498 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 48' ' ' ASP 0.251 92.6 m -96.14 123.1 39.62 Favored 'General case' 0 N--CA 1.472 0.674 0 O-C-N 118.482 -2.636 . . . . 10.0 108.547 179.771 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.657 HG22 ' CG1' ' A' ' 87' ' ' VAL . 61.8 t -55.78 130.44 18.23 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.373 0 O-C-N 126.829 2.581 . . . . 10.0 116.136 179.851 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 74.01 -8.39 12.18 Favored Glycine 0 N--CA 1.48 1.629 0 CA-C-N 110.088 -3.233 . . . . 10.0 117.079 -179.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' O ' HG12 ' A' ' 69' ' ' VAL 0.287 43.6 t -112.55 84.14 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.202 -1.44 0 N-CA-C 103.136 -2.913 . . . . 10.0 103.136 179.943 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -40.81 151.6 0.06 Allowed 'General case' 0 CA--C 1.513 -0.465 2 O-C-N 133.694 6.871 . . . . 10.0 111.438 -179.803 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -154.83 109.29 2.98 Favored 'General case' 0 N--CA 1.436 -1.167 0 N-CA-C 117.828 2.529 . . . . 10.0 117.828 179.837 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -68.1 95.55 0.57 Allowed 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 109.911 -0.403 . . . . 10.0 109.911 179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.496 ' HB2' HG23 ' A' ' 83' ' ' VAL . 0.8 OUTLIER -83.92 -168.72 2.25 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 106.623 -1.621 . . . . 10.0 106.623 179.738 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . 0.503 ' CG ' ' HG2' ' A' ' 76' ' ' LYS . 2.8 t-160 -149.01 106.54 3.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 111.847 -2.433 . . . . 10.0 109.359 -179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.46 HG23 HG22 ' A' ' 83' ' ' VAL 0.271 0.9 OUTLIER -81.77 -1.66 47.98 Favored 'General case' 0 C--O 1.21 -1.018 0 CA-C-N 111.919 -2.4 . . . . 10.0 114.226 -179.69 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.503 ' HG2' ' CG ' ' A' ' 74' ' ' HIS . 0.3 OUTLIER -30.4 104.4 0.03 OUTLIER 'General case' 0 C--O 1.212 -0.873 1 O-C-N 129.561 4.288 . . . . 10.0 112.071 179.972 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.43 -31.8 2.93 Favored Glycine 0 C--O 1.207 -1.568 0 CA-C-N 112.082 -2.326 . . . . 10.0 108.021 -179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD23 HD11 ' A' ' 26' ' ' ILE . 0.4 OUTLIER -103.84 37.09 2.13 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 128.769 3.276 . . . . 10.0 111.415 -179.947 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.483 ' HB2' HD13 ' A' ' 26' ' ' ILE . 5.0 t70 40.67 36.31 0.38 Allowed 'General case' 0 CA--C 1.497 -1.069 0 CA-C-N 109.662 -3.426 . . . . 10.0 113.695 179.688 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' HA3' ' OG1' ' A' ' 75' ' ' THR . . . -108.85 -48.26 0.85 Allowed Glycine 0 N--CA 1.479 1.508 0 CA-C-O 122.996 1.331 . . . . 10.0 112.424 179.866 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.42 ' N ' ' OG1' ' A' ' 75' ' ' THR . 13.5 ptp180 40.33 20.2 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 110.848 -2.676 . . . . 10.0 114.295 179.71 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.85 63.69 0.01 OUTLIER 'General case' 0 CA--C 1.497 -1.088 0 O-C-N 126.731 2.52 . . . . 10.0 115.789 -179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.496 HG23 ' HB2' ' A' ' 73' ' ' GLU . 33.4 m -99.62 152.91 4.48 Favored 'Isoleucine or valine' 0 C--N 1.366 1.306 0 O-C-N 126.126 2.141 . . . . 10.0 110.268 179.229 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.575 ' HD3' ' HB2' ' A' ' 99' ' ' LYS . 0.1 OUTLIER -141.05 96.43 3.0 Favored 'General case' 0 CA--C 1.489 -1.375 2 O-C-N 133.142 6.526 . . . . 10.0 110.959 -178.11 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 32.1 m -82.63 128.88 34.75 Favored 'General case' 0 C--O 1.204 -1.323 0 N-CA-C 118.934 2.939 . . . . 10.0 118.934 -179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.3 105.36 5.95 Favored 'General case' 0 C--N 1.349 0.566 1 O-C-N 129.122 4.013 . . . . 10.0 109.896 179.739 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.746 HG23 ' SG ' ' A' ' 96' ' ' CYS . 1.1 t -121.23 148.48 24.53 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.931 0 O-C-N 119.877 -1.764 . . . . 10.0 110.656 -179.735 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . 0.26 26.7 m -153.29 128.61 9.84 Favored 'General case' 0 CA--C 1.498 -1.052 0 CA-C-N 111.772 -2.467 . . . . 10.0 110.772 179.931 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.408 ' HA ' ' HA ' ' A' ' 94' ' ' LEU . 25.9 m95 -51.55 147.29 6.43 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 120.772 -1.205 . . . . 10.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -140.36 18.78 2.4 Favored 'General case' 0 C--O 1.208 -1.117 1 CA-C-O 132.318 5.818 . . . . 10.0 116.748 179.987 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 132.44 -97.64 0.34 Allowed Glycine 0 C--O 1.206 -1.633 2 N-CA-C 102.935 -4.066 . . . . 10.0 102.935 179.749 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.415 ' HA ' ' CB ' ' A' ' 3' ' ' LYS . 0.6 OUTLIER -101.27 -8.33 22.23 Favored 'General case' 0 C--O 1.204 -1.342 0 CA-C-O 127.591 3.567 . . . . 10.0 107.087 179.816 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.586 HG23 ' HB3' ' A' ' 110' ' ' TRP . 0.3 OUTLIER -100.61 170.02 8.65 Favored 'General case' 0 C--O 1.216 -0.702 0 CA-C-N 111.741 -2.481 . . . . 10.0 111.57 179.94 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 87' ' ' VAL . 0.2 OUTLIER -152.14 46.62 0.76 Allowed 'General case' 0 C--N 1.312 -1.029 0 O-C-N 128.645 3.715 . . . . 10.0 112.066 179.85 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 60.3 t -31.19 108.05 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.497 -1.073 0 CA-C-N 109.865 -3.334 . . . . 10.0 119.089 -179.72 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . 0.746 ' SG ' HG23 ' A' ' 87' ' ' VAL . 0.7 OUTLIER -92.55 162.51 14.17 Favored 'General case' 0 C--O 1.196 -1.727 0 O-C-N 126.107 2.13 . . . . 10.0 106.174 179.765 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -160.75 76.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 128.397 3.951 . . . . 10.0 111.435 179.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.62 ' HG2' ' N ' ' A' ' 99' ' ' LYS 0.39 10.7 tt0 -78.9 169.47 18.17 Favored 'General case' 0 C--N 1.367 1.347 0 CA-C-N 111.68 -2.509 . . . . 10.0 115.023 -178.951 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.706 ' C ' ' HD3' ' A' ' 102' ' ' LYS . 24.3 mmtp -109.95 66.86 0.64 Allowed 'General case' 0 C--O 1.209 -1.064 2 O-C-N 130.759 5.037 . . . . 10.0 108.005 174.956 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.457 ' N ' ' HD3' ' A' ' 102' ' ' LYS . . . -154.9 71.27 0.27 Allowed Glycine 0 C--O 1.193 -2.411 1 CA-C-O 129.39 4.883 . . . . 10.0 103.442 176.284 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.863 ' C ' ' HG2' ' A' ' 102' ' ' LYS . 6.9 tp10 133.48 -24.35 0.01 OUTLIER 'General case' 0 C--O 1.206 -1.205 1 CA-C-N 105.214 -5.493 . . . . 10.0 102.108 -174.774 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.863 ' HG2' ' C ' ' A' ' 101' ' ' GLU 0.306 0.0 OUTLIER 17.75 116.52 0.0 OUTLIER 'General case' 0 N--CA 1.418 -2.053 0 N-CA-C 121.61 3.93 . . . . 10.0 121.61 174.734 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.47 ' CG ' ' C ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER 143.59 -19.86 0.0 OUTLIER 'General case' 0 C--N 1.315 -0.931 1 O-C-N 131.431 5.457 . . . . 10.0 110.698 -179.114 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . 0.39 27.1 t30 -174.63 32.12 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.942 3 O-C-N 131.278 5.361 . . . . 10.0 107.576 -178.316 . . . . . . . . 3 2 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.712 ' HB2' ' HB3' ' A' ' 101' ' ' GLU 0.327 0.4 OUTLIER -82.63 65.31 7.7 Favored 'General case' 0 C--O 1.202 -1.407 0 O-C-N 127.915 3.26 . . . . 10.0 115.199 -179.172 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -107.48 157.83 15.29 Favored Glycine 0 N--CA 1.429 -1.803 1 CA-C-N 106.765 -4.743 . . . . 10.0 117.961 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' TRP . . . . . 0.885 ' CB ' HD11 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -133.67 108.52 8.59 Favored 'General case' 0 C--O 1.21 -1.004 1 O-C-N 130.884 4.52 . . . . 10.0 113.882 179.754 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -96.25 79.29 3.14 Favored 'General case' 0 C--N 1.35 0.613 0 O-C-N 127.373 2.921 . . . . 10.0 115.199 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.635 ' HG2' HD13 ' A' ' 118' ' ' LEU . 0.0 OUTLIER -92.55 115.06 27.76 Favored 'General case' 0 C--N 1.366 1.284 0 CA-C-O 112.591 -3.575 . . . . 10.0 103.903 179.864 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' TRP . . . . . 0.586 ' HB3' HG23 ' A' ' 93' ' ' THR . 2.4 p90 -110.89 -8.1 14.53 Favored 'General case' 0 CA--C 1.485 -1.545 0 O-C-N 127.79 3.181 . . . . 10.0 118.03 -179.765 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 t 69.27 136.78 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.502 -0.878 0 N-CA-C 118.033 2.605 . . . . 10.0 118.033 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -134.09 -37.57 0.89 Allowed 'General case' 0 CA--C 1.498 -1.047 0 CA-C-N 111.809 -2.45 . . . . 10.0 114.822 179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 119.49 105.75 2.15 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 126.619 2.057 . . . . 10.0 110.461 -179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 78.59 -8.8 1.6 Allowed 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 127.2 2.2 . . . . 10.0 114.362 -179.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.1 ttmt -151.17 151.57 32.1 Favored 'General case' 0 N--CA 1.483 1.205 0 O-C-N 126.679 2.487 . . . . 10.0 109.196 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.489 ' HB3' ' CB ' ' A' ' 131' ' ' PHE . 1.5 tt -149.18 150.0 31.93 Favored 'General case' 0 CA--C 1.501 -0.92 0 O-C-N 127.975 3.297 . . . . 10.0 111.637 179.901 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.484 ' HB2' ' CH2' ' A' ' 110' ' ' TRP . 2.8 m-85 -124.09 78.05 1.6 Allowed 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 126.428 3.013 . . . . 10.0 113.485 -179.855 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.885 HD11 ' CB ' ' A' ' 107' ' ' TRP . 11.1 tp -76.95 114.04 15.31 Favored 'General case' 0 N--CA 1.479 0.994 1 CA-C-N 107.097 -4.592 . . . . 10.0 106.56 179.821 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -93.66 106.65 18.6 Favored 'General case' 0 CA--C 1.479 -1.761 0 CA-C-O 117.174 -1.394 . . . . 10.0 113.113 -178.577 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.422 ' HA ' HD23 ' A' ' 120' ' ' LEU . 0.5 OUTLIER -82.33 120.18 25.08 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 116.063 -2.255 . . . . 10.0 106.313 178.826 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.51 13.19 18.42 Favored 'General case' 0 C--O 1.204 -1.337 0 CA-C-N 113.465 -1.698 . . . . 10.0 110.676 -179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -42.21 131.61 3.52 Favored 'General case' 0 CA--C 1.486 -1.499 0 CA-C-O 123.906 1.813 . . . . 10.0 110.768 179.368 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' GLY . . . . . 0.479 ' N ' ' HG2' ' A' ' 101' ' ' GLU . . . 57.55 -171.76 3.11 Favored Glycine 0 C--O 1.225 -0.45 0 CA-C-N 111.737 -2.483 . . . . 10.0 112.487 179.808 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -99.68 50.47 0.93 Allowed 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 112.506 -1.847 . . . . 10.0 108.121 -179.994 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' GLN . . . . . 0.615 ' C ' HG23 ' A' ' 126' ' ' VAL . 17.1 mt-30 -135.58 -59.66 0.76 Allowed 'General case' 0 N--CA 1.489 1.519 1 O-C-N 130.149 4.656 . . . . 10.0 104.03 179.88 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . 0.615 HG23 ' C ' ' A' ' 125' ' ' GLN . 12.7 t 101.5 142.42 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.759 2 O-C-N 131.459 5.474 . . . . 10.0 119.801 176.467 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -128.33 -166.55 1.64 Allowed 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 105.613 -1.995 . . . . 10.0 105.613 179.35 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -152.7 122.15 6.78 Favored 'General case' 0 CA--C 1.513 -0.476 0 O-C-N 125.753 1.908 . . . . 10.0 111.381 179.507 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.661 ' HB3' ' HG ' ' A' ' 118' ' ' LEU . 0.1 OUTLIER -91.63 141.14 29.02 Favored 'General case' 0 CA--C 1.489 -1.371 0 C-N-CA 115.287 -2.565 . . . . 10.0 112.544 -179.706 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 43.5 t -114.74 135.3 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 117.912 -2.993 . . . . 10.0 103.325 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.489 ' CB ' ' HB3' ' A' ' 116' ' ' LEU 0.282 3.5 m-85 -140.79 160.98 38.87 Favored 'General case' 0 CA--C 1.481 -1.674 0 CA-C-N 110.776 -2.92 . . . . 10.0 112.133 -179.822 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.435 ' O ' ' CB ' ' A' ' 133' ' ' LYS 0.302 0.0 OUTLIER 178.4 170.06 0.79 Allowed 'General case' 0 C--O 1.213 -0.825 0 CA-C-O 113.374 -3.203 . . . . 10.0 108.378 179.753 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 9' ' ' TRP . 9.9 tttt 132.46 -86.46 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.064 1 O-C-N 134.213 7.196 . . . . 10.0 113.563 179.616 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 133' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.475 -1.913 0 N-CA-C 119.01 2.967 . . . . 10.0 119.01 179.801 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' RTL . . . . . 0.559 ' C8 ' ' C17' ' A' ' 135' ' ' RTL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_